USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 SER OG : rot -131:sc= -0.587! USER MOD Set 1.2: A 86 THR OG1 : rot -170:sc= 0.162 USER MOD Set 2.1: A 17 TYR OH : rot 180:sc= 0.156 USER MOD Set 2.2: A 66 ASN :FLIP amide:sc= -2.18 F(o=-3,f=-1.9) USER MOD Set 2.3: A 73 LYS NZ :NH3+ 179:sc= 0.0965 (180deg=-0.00615) USER MOD Set 3.1: A 50 ASN :FLIP amide:sc= -2.65! F(o=-4.5,f=-2.9!) USER MOD Set 3.2: A 89 ASN :FLIP amide:sc= -0.274 X(o=-3,f=-2.9) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 104:sc= 0.134 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 17:sc= 0.729 USER MOD Single : A 25 SER OG : rot 180:sc= 0.161 USER MOD Single : A 27 GLN : amide:sc= -0.0753 X(o=-0.075,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0214 K(o=-0.021,f=-1.5) USER MOD Single : A 41 THR OG1 : rot -169:sc= -3.25! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.16 K(o=-1.2,f=-4!) USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -0.528 (180deg=-0.766) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000933) USER MOD Single : A 63 ASN : amide:sc= -3.13 K(o=-3.1,f=-4.7!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.023) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -27:sc= 0.575 USER MOD Single : A 87 ASN : amide:sc= -1.61 K(o=-1.6,f=-4!) USER MOD Single : A 90 THR OG1 : rot -59:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 2.945 -2.132 -2.750 1.00 32.12 N ATOM 12 CA ILE A 2 3.373 -3.339 -3.446 1.00 54.14 C ATOM 13 C ILE A 2 4.645 -3.089 -4.249 1.00 10.52 C ATOM 14 O ILE A 2 5.115 -1.955 -4.349 1.00 72.24 O ATOM 15 CB ILE A 2 2.276 -3.861 -4.394 1.00 1.24 C ATOM 16 CG1 ILE A 2 2.063 -2.882 -5.550 1.00 74.23 C ATOM 17 CG2 ILE A 2 0.978 -4.080 -3.631 1.00 51.33 C ATOM 18 CD1 ILE A 2 0.999 -3.327 -6.529 1.00 54.32 C ATOM 0 HA ILE A 2 3.570 -4.091 -2.682 1.00 54.14 H new ATOM 0 HB ILE A 2 2.597 -4.817 -4.807 1.00 1.24 H new ATOM 0 HG12 ILE A 2 1.788 -1.908 -5.145 1.00 74.23 H new ATOM 0 HG13 ILE A 2 3.005 -2.751 -6.083 1.00 74.23 H new ATOM 0 HG21 ILE A 2 0.212 -4.449 -4.314 1.00 51.33 H new ATOM 0 HG22 ILE A 2 1.140 -4.811 -2.839 1.00 51.33 H new ATOM 0 HG23 ILE A 2 0.650 -3.137 -3.193 1.00 51.33 H new ATOM 0 HD11 ILE A 2 0.901 -2.586 -7.322 1.00 54.32 H new ATOM 0 HD12 ILE A 2 1.282 -4.287 -6.962 1.00 54.32 H new ATOM 0 HD13 ILE A 2 0.046 -3.430 -6.009 1.00 54.32 H new ATOM 30 N SER A 3 5.197 -4.154 -4.820 1.00 62.20 N ATOM 31 CA SER A 3 6.417 -4.051 -5.613 1.00 13.23 C ATOM 32 C SER A 3 6.091 -3.935 -7.099 1.00 33.54 C ATOM 33 O SER A 3 5.567 -4.870 -7.706 1.00 12.02 O ATOM 34 CB SER A 3 7.313 -5.266 -5.369 1.00 24.15 C ATOM 35 OG SER A 3 7.590 -5.426 -3.988 1.00 64.41 O ATOM 0 H SER A 3 4.819 -5.099 -4.749 1.00 62.20 H new ATOM 0 HA SER A 3 6.947 -3.150 -5.304 1.00 13.23 H new ATOM 0 HB2 SER A 3 6.827 -6.163 -5.752 1.00 24.15 H new ATOM 0 HB3 SER A 3 8.247 -5.150 -5.919 1.00 24.15 H new ATOM 0 HG SER A 3 8.163 -6.210 -3.858 1.00 64.41 H new ATOM 41 N CYS A 4 6.404 -2.782 -7.679 1.00 4.11 N ATOM 42 CA CYS A 4 6.145 -2.542 -9.093 1.00 44.53 C ATOM 43 C CYS A 4 6.726 -3.662 -9.951 1.00 30.42 C ATOM 44 O CYS A 4 6.171 -4.013 -10.991 1.00 44.04 O ATOM 45 CB CYS A 4 6.739 -1.198 -9.521 1.00 1.23 C ATOM 46 SG CYS A 4 5.945 -0.467 -10.988 1.00 61.35 S ATOM 0 H CYS A 4 6.838 -1.998 -7.191 1.00 4.11 H new ATOM 0 HA CYS A 4 5.065 -2.519 -9.239 1.00 44.53 H new ATOM 0 HB2 CYS A 4 6.659 -0.497 -8.690 1.00 1.23 H new ATOM 0 HB3 CYS A 4 7.802 -1.331 -9.725 1.00 1.23 H new ATOM 51 N GLY A 5 7.847 -4.221 -9.505 1.00 21.21 N ATOM 52 CA GLY A 5 8.484 -5.296 -10.243 1.00 24.24 C ATOM 53 C GLY A 5 7.613 -6.533 -10.334 1.00 13.10 C ATOM 54 O GLY A 5 7.702 -7.293 -11.297 1.00 73.43 O ATOM 0 H GLY A 5 8.325 -3.949 -8.646 1.00 21.21 H new ATOM 0 HA2 GLY A 5 8.724 -4.950 -11.248 1.00 24.24 H new ATOM 0 HA3 GLY A 5 9.427 -5.554 -9.761 1.00 24.24 H new ATOM 58 N ALA A 6 6.768 -6.736 -9.328 1.00 5.43 N ATOM 59 CA ALA A 6 5.877 -7.888 -9.299 1.00 20.41 C ATOM 60 C ALA A 6 4.589 -7.606 -10.065 1.00 43.12 C ATOM 61 O ALA A 6 3.882 -8.528 -10.472 1.00 41.11 O ATOM 62 CB ALA A 6 5.564 -8.278 -7.862 1.00 13.53 C ATOM 0 H ALA A 6 6.682 -6.117 -8.522 1.00 5.43 H new ATOM 0 HA ALA A 6 6.384 -8.720 -9.787 1.00 20.41 H new ATOM 0 HB1 ALA A 6 4.897 -9.140 -7.856 1.00 13.53 H new ATOM 0 HB2 ALA A 6 6.489 -8.531 -7.344 1.00 13.53 H new ATOM 0 HB3 ALA A 6 5.081 -7.442 -7.355 1.00 13.53 H new ATOM 68 N VAL A 7 4.290 -6.325 -10.258 1.00 72.33 N ATOM 69 CA VAL A 7 3.087 -5.921 -10.976 1.00 72.43 C ATOM 70 C VAL A 7 3.185 -6.275 -12.456 1.00 44.41 C ATOM 71 O VAL A 7 2.287 -6.902 -13.018 1.00 12.10 O ATOM 72 CB VAL A 7 2.831 -4.409 -10.837 1.00 0.03 C ATOM 73 CG1 VAL A 7 1.539 -4.019 -11.537 1.00 55.14 C ATOM 74 CG2 VAL A 7 2.794 -4.009 -9.370 1.00 13.44 C ATOM 0 H VAL A 7 4.864 -5.550 -9.927 1.00 72.33 H new ATOM 0 HA VAL A 7 2.255 -6.465 -10.530 1.00 72.43 H new ATOM 0 HB VAL A 7 3.651 -3.874 -11.316 1.00 0.03 H new ATOM 0 HG11 VAL A 7 1.375 -2.947 -11.428 1.00 55.14 H new ATOM 0 HG12 VAL A 7 1.609 -4.269 -12.596 1.00 55.14 H new ATOM 0 HG13 VAL A 7 0.705 -4.561 -11.090 1.00 55.14 H new ATOM 0 HG21 VAL A 7 2.612 -2.937 -9.290 1.00 13.44 H new ATOM 0 HG22 VAL A 7 1.995 -4.552 -8.865 1.00 13.44 H new ATOM 0 HG23 VAL A 7 3.749 -4.251 -8.903 1.00 13.44 H new ATOM 84 N THR A 8 4.284 -5.868 -13.084 1.00 44.01 N ATOM 85 CA THR A 8 4.501 -6.141 -14.499 1.00 42.53 C ATOM 86 C THR A 8 4.888 -7.598 -14.726 1.00 12.43 C ATOM 87 O THR A 8 4.493 -8.207 -15.719 1.00 74.52 O ATOM 88 CB THR A 8 5.600 -5.233 -15.084 1.00 54.14 C ATOM 89 OG1 THR A 8 6.852 -5.505 -14.445 1.00 52.04 O ATOM 90 CG2 THR A 8 5.241 -3.765 -14.905 1.00 63.41 C ATOM 0 H THR A 8 5.038 -5.348 -12.634 1.00 44.01 H new ATOM 0 HA THR A 8 3.560 -5.935 -15.008 1.00 42.53 H new ATOM 0 HB THR A 8 5.684 -5.443 -16.150 1.00 54.14 H new ATOM 0 HG1 THR A 8 7.545 -4.925 -14.824 1.00 52.04 H new ATOM 0 HG21 THR A 8 6.031 -3.143 -15.325 1.00 63.41 H new ATOM 0 HG22 THR A 8 4.302 -3.555 -15.418 1.00 63.41 H new ATOM 0 HG23 THR A 8 5.132 -3.544 -13.843 1.00 63.41 H new ATOM 98 N SER A 9 5.662 -8.151 -13.798 1.00 3.44 N ATOM 99 CA SER A 9 6.105 -9.536 -13.898 1.00 70.30 C ATOM 100 C SER A 9 4.914 -10.490 -13.876 1.00 43.04 C ATOM 101 O SER A 9 4.885 -11.481 -14.607 1.00 11.51 O ATOM 102 CB SER A 9 7.063 -9.872 -12.753 1.00 74.11 C ATOM 103 OG SER A 9 8.401 -9.560 -13.099 1.00 52.04 O ATOM 0 H SER A 9 5.995 -7.661 -12.968 1.00 3.44 H new ATOM 0 HA SER A 9 6.628 -9.656 -14.847 1.00 70.30 H new ATOM 0 HB2 SER A 9 6.776 -9.317 -11.860 1.00 74.11 H new ATOM 0 HB3 SER A 9 6.985 -10.931 -12.508 1.00 74.11 H new ATOM 0 HG SER A 9 8.673 -8.736 -12.644 1.00 52.04 H new ATOM 109 N ASP A 10 3.934 -10.183 -13.034 1.00 23.45 N ATOM 110 CA ASP A 10 2.740 -11.012 -12.916 1.00 52.41 C ATOM 111 C ASP A 10 2.010 -11.106 -14.253 1.00 3.34 C ATOM 112 O ASP A 10 1.217 -12.021 -14.476 1.00 63.42 O ATOM 113 CB ASP A 10 1.803 -10.444 -11.848 1.00 71.44 C ATOM 114 CG ASP A 10 2.249 -10.793 -10.442 1.00 61.52 C ATOM 115 OD1 ASP A 10 1.771 -10.143 -9.489 1.00 34.40 O ATOM 116 OD2 ASP A 10 3.076 -11.717 -10.295 1.00 21.23 O ATOM 0 H ASP A 10 3.943 -9.366 -12.423 1.00 23.45 H new ATOM 0 HA ASP A 10 3.050 -12.014 -12.620 1.00 52.41 H new ATOM 0 HB2 ASP A 10 1.753 -9.360 -11.952 1.00 71.44 H new ATOM 0 HB3 ASP A 10 0.796 -10.827 -12.012 1.00 71.44 H new ATOM 121 N LEU A 11 2.282 -10.153 -15.137 1.00 64.05 N ATOM 122 CA LEU A 11 1.651 -10.127 -16.452 1.00 62.35 C ATOM 123 C LEU A 11 2.629 -10.573 -17.535 1.00 23.13 C ATOM 124 O LEU A 11 2.403 -10.343 -18.723 1.00 21.13 O ATOM 125 CB LEU A 11 1.134 -8.722 -16.764 1.00 53.02 C ATOM 126 CG LEU A 11 -0.115 -8.282 -15.999 1.00 41.52 C ATOM 127 CD1 LEU A 11 -0.611 -6.939 -16.515 1.00 21.45 C ATOM 128 CD2 LEU A 11 -1.208 -9.335 -16.111 1.00 2.44 C ATOM 0 H LEU A 11 2.935 -9.388 -14.967 1.00 64.05 H new ATOM 0 HA LEU A 11 0.811 -10.822 -16.438 1.00 62.35 H new ATOM 0 HB2 LEU A 11 1.932 -8.009 -16.558 1.00 53.02 H new ATOM 0 HB3 LEU A 11 0.922 -8.663 -17.831 1.00 53.02 H new ATOM 0 HG LEU A 11 0.147 -8.170 -14.947 1.00 41.52 H new ATOM 0 HD11 LEU A 11 -1.500 -6.642 -15.959 1.00 21.45 H new ATOM 0 HD12 LEU A 11 0.168 -6.188 -16.382 1.00 21.45 H new ATOM 0 HD13 LEU A 11 -0.856 -7.024 -17.574 1.00 21.45 H new ATOM 0 HD21 LEU A 11 -2.089 -9.005 -15.561 1.00 2.44 H new ATOM 0 HD22 LEU A 11 -1.468 -9.479 -17.160 1.00 2.44 H new ATOM 0 HD23 LEU A 11 -0.851 -10.276 -15.693 1.00 2.44 H new ATOM 140 N SER A 12 3.716 -11.214 -17.116 1.00 11.33 N ATOM 141 CA SER A 12 4.730 -11.691 -18.049 1.00 54.31 C ATOM 142 C SER A 12 4.108 -12.592 -19.112 1.00 4.02 C ATOM 143 O SER A 12 4.170 -12.316 -20.310 1.00 42.30 O ATOM 144 CB SER A 12 5.827 -12.449 -17.299 1.00 41.45 C ATOM 145 OG SER A 12 6.936 -11.608 -17.032 1.00 12.34 O ATOM 0 H SER A 12 3.917 -11.415 -16.136 1.00 11.33 H new ATOM 0 HA SER A 12 5.170 -10.825 -18.544 1.00 54.31 H new ATOM 0 HB2 SER A 12 5.429 -12.839 -16.362 1.00 41.45 H new ATOM 0 HB3 SER A 12 6.150 -13.306 -17.890 1.00 41.45 H new ATOM 0 HG SER A 12 7.623 -12.115 -16.551 1.00 12.34 H new ATOM 151 N PRO A 13 3.495 -13.697 -18.664 1.00 34.21 N ATOM 152 CA PRO A 13 2.849 -14.662 -19.559 1.00 23.30 C ATOM 153 C PRO A 13 1.585 -14.102 -20.201 1.00 51.11 C ATOM 154 O PRO A 13 1.049 -14.679 -21.148 1.00 11.22 O ATOM 155 CB PRO A 13 2.505 -15.831 -18.632 1.00 44.10 C ATOM 156 CG PRO A 13 2.391 -15.220 -17.278 1.00 50.43 C ATOM 157 CD PRO A 13 3.383 -14.090 -17.249 1.00 14.40 C ATOM 0 HA PRO A 13 3.493 -14.937 -20.394 1.00 23.30 H new ATOM 0 HB2 PRO A 13 1.573 -16.311 -18.929 1.00 44.10 H new ATOM 0 HB3 PRO A 13 3.280 -16.597 -18.657 1.00 44.10 H new ATOM 0 HG2 PRO A 13 1.379 -14.856 -17.098 1.00 50.43 H new ATOM 0 HG3 PRO A 13 2.610 -15.951 -16.500 1.00 50.43 H new ATOM 0 HD2 PRO A 13 3.033 -13.264 -16.629 1.00 14.40 H new ATOM 0 HD3 PRO A 13 4.343 -14.409 -16.843 1.00 14.40 H new ATOM 165 N CYS A 14 1.113 -12.974 -19.681 1.00 13.00 N ATOM 166 CA CYS A 14 -0.089 -12.335 -20.203 1.00 50.22 C ATOM 167 C CYS A 14 0.257 -11.363 -21.328 1.00 73.20 C ATOM 168 O CYS A 14 -0.545 -11.135 -22.235 1.00 31.31 O ATOM 169 CB CYS A 14 -0.826 -11.596 -19.085 1.00 1.45 C ATOM 170 SG CYS A 14 -1.347 -12.664 -17.704 1.00 65.43 S ATOM 0 H CYS A 14 1.545 -12.483 -18.898 1.00 13.00 H new ATOM 0 HA CYS A 14 -0.739 -13.113 -20.605 1.00 50.22 H new ATOM 0 HB2 CYS A 14 -0.180 -10.809 -18.697 1.00 1.45 H new ATOM 0 HB3 CYS A 14 -1.706 -11.108 -19.505 1.00 1.45 H new ATOM 175 N LEU A 15 1.455 -10.794 -21.263 1.00 0.23 N ATOM 176 CA LEU A 15 1.908 -9.847 -22.276 1.00 3.35 C ATOM 177 C LEU A 15 1.567 -10.343 -23.677 1.00 15.12 C ATOM 178 O LEU A 15 1.154 -9.567 -24.539 1.00 51.43 O ATOM 179 CB LEU A 15 3.417 -9.624 -22.155 1.00 12.22 C ATOM 180 CG LEU A 15 3.956 -8.332 -22.771 1.00 32.13 C ATOM 181 CD1 LEU A 15 3.226 -7.125 -22.203 1.00 11.12 C ATOM 182 CD2 LEU A 15 5.454 -8.212 -22.532 1.00 61.55 C ATOM 0 H LEU A 15 2.131 -10.972 -20.520 1.00 0.23 H new ATOM 0 HA LEU A 15 1.392 -8.901 -22.110 1.00 3.35 H new ATOM 0 HB2 LEU A 15 3.682 -9.637 -21.098 1.00 12.22 H new ATOM 0 HB3 LEU A 15 3.927 -10.466 -22.622 1.00 12.22 H new ATOM 0 HG LEU A 15 3.781 -8.364 -23.846 1.00 32.13 H new ATOM 0 HD11 LEU A 15 3.623 -6.215 -22.653 1.00 11.12 H new ATOM 0 HD12 LEU A 15 2.162 -7.206 -22.425 1.00 11.12 H new ATOM 0 HD13 LEU A 15 3.369 -7.088 -21.123 1.00 11.12 H new ATOM 0 HD21 LEU A 15 5.820 -7.287 -22.977 1.00 61.55 H new ATOM 0 HD22 LEU A 15 5.652 -8.202 -21.460 1.00 61.55 H new ATOM 0 HD23 LEU A 15 5.964 -9.061 -22.987 1.00 61.55 H new ATOM 194 N THR A 16 1.739 -11.643 -23.897 1.00 50.44 N ATOM 195 CA THR A 16 1.448 -12.243 -25.193 1.00 61.10 C ATOM 196 C THR A 16 0.023 -11.933 -25.635 1.00 53.33 C ATOM 197 O THR A 16 -0.192 -11.257 -26.642 1.00 71.21 O ATOM 198 CB THR A 16 1.642 -13.771 -25.160 1.00 42.24 C ATOM 199 OG1 THR A 16 3.006 -14.085 -24.858 1.00 1.04 O ATOM 200 CG2 THR A 16 1.257 -14.394 -26.494 1.00 10.23 C ATOM 0 H THR A 16 2.078 -12.300 -23.194 1.00 50.44 H new ATOM 0 HA THR A 16 2.149 -11.810 -25.907 1.00 61.10 H new ATOM 0 HB THR A 16 0.995 -14.181 -24.385 1.00 42.24 H new ATOM 0 HG1 THR A 16 3.121 -15.058 -24.837 1.00 1.04 H new ATOM 0 HG21 THR A 16 1.402 -15.473 -26.447 1.00 10.23 H new ATOM 0 HG22 THR A 16 0.210 -14.178 -26.708 1.00 10.23 H new ATOM 0 HG23 THR A 16 1.882 -13.978 -27.284 1.00 10.23 H new ATOM 208 N TYR A 17 -0.948 -12.429 -24.877 1.00 33.20 N ATOM 209 CA TYR A 17 -2.354 -12.206 -25.192 1.00 53.02 C ATOM 210 C TYR A 17 -2.701 -10.722 -25.113 1.00 74.53 C ATOM 211 O TYR A 17 -3.566 -10.235 -25.843 1.00 63.02 O ATOM 212 CB TYR A 17 -3.245 -13.001 -24.237 1.00 34.24 C ATOM 213 CG TYR A 17 -4.711 -12.642 -24.335 1.00 2.12 C ATOM 214 CD1 TYR A 17 -5.438 -12.919 -25.486 1.00 13.22 C ATOM 215 CD2 TYR A 17 -5.368 -12.025 -23.277 1.00 45.45 C ATOM 216 CE1 TYR A 17 -6.777 -12.592 -25.580 1.00 52.25 C ATOM 217 CE2 TYR A 17 -6.706 -11.695 -23.363 1.00 34.42 C ATOM 218 CZ TYR A 17 -7.407 -11.981 -24.516 1.00 42.32 C ATOM 219 OH TYR A 17 -8.740 -11.653 -24.606 1.00 13.14 O ATOM 0 H TYR A 17 -0.787 -12.989 -24.039 1.00 33.20 H new ATOM 0 HA TYR A 17 -2.530 -12.548 -26.212 1.00 53.02 H new ATOM 0 HB2 TYR A 17 -3.126 -14.065 -24.443 1.00 34.24 H new ATOM 0 HB3 TYR A 17 -2.906 -12.834 -23.214 1.00 34.24 H new ATOM 0 HD1 TYR A 17 -4.948 -13.398 -26.321 1.00 13.22 H new ATOM 0 HD2 TYR A 17 -4.823 -11.800 -22.372 1.00 45.45 H new ATOM 0 HE1 TYR A 17 -7.328 -12.814 -26.482 1.00 52.25 H new ATOM 0 HE2 TYR A 17 -7.201 -11.215 -22.532 1.00 34.42 H new ATOM 0 HH TYR A 17 -9.030 -11.230 -23.771 1.00 13.14 H new ATOM 229 N LEU A 18 -2.021 -10.009 -24.223 1.00 31.23 N ATOM 230 CA LEU A 18 -2.255 -8.580 -24.047 1.00 74.01 C ATOM 231 C LEU A 18 -1.693 -7.788 -25.223 1.00 0.52 C ATOM 232 O LEU A 18 -2.057 -6.631 -25.437 1.00 40.25 O ATOM 233 CB LEU A 18 -1.622 -8.096 -22.742 1.00 31.05 C ATOM 234 CG LEU A 18 -2.249 -8.630 -21.453 1.00 61.21 C ATOM 235 CD1 LEU A 18 -1.597 -7.990 -20.237 1.00 60.42 C ATOM 236 CD2 LEU A 18 -3.750 -8.382 -21.448 1.00 33.51 C ATOM 0 H LEU A 18 -1.303 -10.397 -23.611 1.00 31.23 H new ATOM 0 HA LEU A 18 -3.332 -8.416 -24.003 1.00 74.01 H new ATOM 0 HB2 LEU A 18 -0.567 -8.370 -22.750 1.00 31.05 H new ATOM 0 HB3 LEU A 18 -1.668 -7.007 -22.721 1.00 31.05 H new ATOM 0 HG LEU A 18 -2.078 -9.706 -21.407 1.00 61.21 H new ATOM 0 HD11 LEU A 18 -2.056 -8.382 -19.329 1.00 60.42 H new ATOM 0 HD12 LEU A 18 -0.531 -8.219 -20.233 1.00 60.42 H new ATOM 0 HD13 LEU A 18 -1.736 -6.910 -20.276 1.00 60.42 H new ATOM 0 HD21 LEU A 18 -4.180 -8.768 -20.524 1.00 33.51 H new ATOM 0 HD22 LEU A 18 -3.942 -7.311 -21.518 1.00 33.51 H new ATOM 0 HD23 LEU A 18 -4.205 -8.888 -22.299 1.00 33.51 H new ATOM 248 N THR A 19 -0.804 -8.418 -25.984 1.00 71.31 N ATOM 249 CA THR A 19 -0.192 -7.773 -27.139 1.00 31.22 C ATOM 250 C THR A 19 -0.821 -8.261 -28.439 1.00 22.52 C ATOM 251 O THR A 19 -0.207 -8.187 -29.503 1.00 34.24 O ATOM 252 CB THR A 19 1.326 -8.031 -27.187 1.00 72.14 C ATOM 253 OG1 THR A 19 1.587 -9.436 -27.099 1.00 21.24 O ATOM 254 CG2 THR A 19 2.034 -7.306 -26.053 1.00 45.34 C ATOM 0 H THR A 19 -0.491 -9.375 -25.821 1.00 71.31 H new ATOM 0 HA THR A 19 -0.368 -6.702 -27.034 1.00 31.22 H new ATOM 0 HB THR A 19 1.707 -7.650 -28.134 1.00 72.14 H new ATOM 0 HG1 THR A 19 0.768 -9.934 -27.302 1.00 21.24 H new ATOM 0 HG21 THR A 19 3.105 -7.503 -26.107 1.00 45.34 H new ATOM 0 HG22 THR A 19 1.857 -6.234 -26.140 1.00 45.34 H new ATOM 0 HG23 THR A 19 1.648 -7.661 -25.097 1.00 45.34 H new ATOM 262 N GLY A 20 -2.050 -8.761 -28.346 1.00 4.13 N ATOM 263 CA GLY A 20 -2.741 -9.254 -29.523 1.00 12.45 C ATOM 264 C GLY A 20 -2.555 -10.745 -29.723 1.00 13.45 C ATOM 265 O GLY A 20 -3.226 -11.355 -30.554 1.00 10.01 O ATOM 0 H GLY A 20 -2.579 -8.833 -27.477 1.00 4.13 H new ATOM 0 HA2 GLY A 20 -3.805 -9.032 -29.435 1.00 12.45 H new ATOM 0 HA3 GLY A 20 -2.376 -8.724 -30.403 1.00 12.45 H new ATOM 269 N GLY A 21 -1.640 -11.333 -28.959 1.00 23.22 N ATOM 270 CA GLY A 21 -1.382 -12.757 -29.073 1.00 15.12 C ATOM 271 C GLY A 21 -2.556 -13.597 -28.609 1.00 50.05 C ATOM 272 O GLY A 21 -3.574 -13.080 -28.150 1.00 12.44 O ATOM 0 H GLY A 21 -1.073 -10.849 -28.263 1.00 23.22 H new ATOM 0 HA2 GLY A 21 -1.153 -13.000 -30.111 1.00 15.12 H new ATOM 0 HA3 GLY A 21 -0.501 -13.012 -28.484 1.00 15.12 H new ATOM 276 N PRO A 22 -2.422 -14.926 -28.731 1.00 23.05 N ATOM 277 CA PRO A 22 -3.470 -15.868 -28.327 1.00 13.40 C ATOM 278 C PRO A 22 -3.647 -15.925 -26.813 1.00 42.25 C ATOM 279 O PRO A 22 -2.698 -15.712 -26.060 1.00 13.44 O ATOM 280 CB PRO A 22 -2.964 -17.211 -28.857 1.00 63.24 C ATOM 281 CG PRO A 22 -1.484 -17.056 -28.931 1.00 41.22 C ATOM 282 CD PRO A 22 -1.236 -15.612 -29.270 1.00 43.11 C ATOM 0 HA PRO A 22 -4.447 -15.582 -28.716 1.00 13.40 H new ATOM 0 HB2 PRO A 22 -3.244 -18.029 -28.193 1.00 63.24 H new ATOM 0 HB3 PRO A 22 -3.388 -17.435 -29.836 1.00 63.24 H new ATOM 0 HG2 PRO A 22 -1.016 -17.320 -27.983 1.00 41.22 H new ATOM 0 HG3 PRO A 22 -1.060 -17.714 -29.690 1.00 41.22 H new ATOM 0 HD2 PRO A 22 -0.317 -15.244 -28.813 1.00 43.11 H new ATOM 0 HD3 PRO A 22 -1.140 -15.463 -30.345 1.00 43.11 H new ATOM 290 N GLY A 23 -4.868 -16.215 -26.375 1.00 52.21 N ATOM 291 CA GLY A 23 -5.146 -16.295 -24.953 1.00 73.10 C ATOM 292 C GLY A 23 -6.544 -15.821 -24.608 1.00 11.01 C ATOM 293 O GLY A 23 -7.429 -15.756 -25.461 1.00 40.55 O ATOM 0 H GLY A 23 -5.670 -16.396 -26.979 1.00 52.21 H new ATOM 0 HA2 GLY A 23 -5.022 -17.325 -24.619 1.00 73.10 H new ATOM 0 HA3 GLY A 23 -4.417 -15.694 -24.409 1.00 73.10 H new ATOM 297 N PRO A 24 -6.759 -15.481 -23.328 1.00 61.42 N ATOM 298 CA PRO A 24 -5.713 -15.556 -22.303 1.00 55.23 C ATOM 299 C PRO A 24 -5.338 -16.994 -21.961 1.00 54.31 C ATOM 300 O PRO A 24 -6.204 -17.818 -21.668 1.00 73.11 O ATOM 301 CB PRO A 24 -6.352 -14.868 -21.094 1.00 53.34 C ATOM 302 CG PRO A 24 -7.819 -15.033 -21.296 1.00 52.40 C ATOM 303 CD PRO A 24 -8.039 -14.999 -22.783 1.00 71.22 C ATOM 0 HA PRO A 24 -4.784 -15.092 -22.634 1.00 55.23 H new ATOM 0 HB2 PRO A 24 -6.027 -15.326 -20.160 1.00 53.34 H new ATOM 0 HB3 PRO A 24 -6.075 -13.815 -21.046 1.00 53.34 H new ATOM 0 HG2 PRO A 24 -8.168 -15.974 -20.871 1.00 52.40 H new ATOM 0 HG3 PRO A 24 -8.373 -14.235 -20.801 1.00 52.40 H new ATOM 0 HD2 PRO A 24 -8.869 -15.639 -23.081 1.00 71.22 H new ATOM 0 HD3 PRO A 24 -8.271 -13.993 -23.132 1.00 71.22 H new ATOM 311 N SER A 25 -4.043 -17.288 -22.000 1.00 3.31 N ATOM 312 CA SER A 25 -3.554 -18.628 -21.697 1.00 5.51 C ATOM 313 C SER A 25 -3.834 -18.992 -20.242 1.00 61.22 C ATOM 314 O SER A 25 -4.119 -18.136 -19.405 1.00 33.12 O ATOM 315 CB SER A 25 -2.053 -18.721 -21.978 1.00 24.02 C ATOM 316 OG SER A 25 -1.297 -18.439 -20.812 1.00 71.25 O ATOM 0 H SER A 25 -3.313 -16.617 -22.238 1.00 3.31 H new ATOM 0 HA SER A 25 -4.081 -19.335 -22.338 1.00 5.51 H new ATOM 0 HB2 SER A 25 -1.809 -19.719 -22.341 1.00 24.02 H new ATOM 0 HB3 SER A 25 -1.784 -18.020 -22.768 1.00 24.02 H new ATOM 0 HG SER A 25 -0.341 -18.507 -21.018 1.00 71.25 H new ATOM 322 N PRO A 26 -3.751 -20.295 -19.933 1.00 50.22 N ATOM 323 CA PRO A 26 -3.992 -20.804 -18.580 1.00 24.12 C ATOM 324 C PRO A 26 -2.890 -20.402 -17.605 1.00 31.21 C ATOM 325 O PRO A 26 -3.138 -20.231 -16.412 1.00 21.03 O ATOM 326 CB PRO A 26 -4.009 -22.323 -18.770 1.00 51.23 C ATOM 327 CG PRO A 26 -3.189 -22.561 -19.991 1.00 23.12 C ATOM 328 CD PRO A 26 -3.416 -21.371 -20.881 1.00 44.40 C ATOM 0 HA PRO A 26 -4.911 -20.404 -18.152 1.00 24.12 H new ATOM 0 HB2 PRO A 26 -3.588 -22.835 -17.905 1.00 51.23 H new ATOM 0 HB3 PRO A 26 -5.026 -22.695 -18.897 1.00 51.23 H new ATOM 0 HG2 PRO A 26 -2.134 -22.664 -19.738 1.00 23.12 H new ATOM 0 HG3 PRO A 26 -3.489 -23.483 -20.489 1.00 23.12 H new ATOM 0 HD2 PRO A 26 -2.527 -21.130 -21.464 1.00 44.40 H new ATOM 0 HD3 PRO A 26 -4.225 -21.548 -21.590 1.00 44.40 H new ATOM 336 N GLN A 27 -1.675 -20.253 -18.121 1.00 65.23 N ATOM 337 CA GLN A 27 -0.536 -19.871 -17.295 1.00 24.42 C ATOM 338 C GLN A 27 -0.576 -18.383 -16.966 1.00 50.43 C ATOM 339 O GLN A 27 -0.067 -17.950 -15.932 1.00 22.21 O ATOM 340 CB GLN A 27 0.775 -20.213 -18.006 1.00 31.51 C ATOM 341 CG GLN A 27 0.878 -21.671 -18.424 1.00 33.42 C ATOM 342 CD GLN A 27 1.614 -21.852 -19.737 1.00 2.35 C ATOM 343 OE1 GLN A 27 1.195 -22.628 -20.596 1.00 14.34 O ATOM 344 NE2 GLN A 27 2.719 -21.134 -19.899 1.00 43.41 N ATOM 0 H GLN A 27 -1.454 -20.391 -19.107 1.00 65.23 H new ATOM 0 HA GLN A 27 -0.592 -20.432 -16.362 1.00 24.42 H new ATOM 0 HB2 GLN A 27 0.875 -19.582 -18.890 1.00 31.51 H new ATOM 0 HB3 GLN A 27 1.609 -19.973 -17.347 1.00 31.51 H new ATOM 0 HG2 GLN A 27 1.391 -22.233 -17.644 1.00 33.42 H new ATOM 0 HG3 GLN A 27 -0.124 -22.091 -18.513 1.00 33.42 H new ATOM 0 HE21 GLN A 27 3.030 -20.503 -19.161 1.00 43.41 H new ATOM 0 HE22 GLN A 27 3.257 -21.214 -20.762 1.00 43.41 H new ATOM 353 N CYS A 28 -1.184 -17.602 -17.853 1.00 74.44 N ATOM 354 CA CYS A 28 -1.291 -16.162 -17.659 1.00 51.51 C ATOM 355 C CYS A 28 -2.310 -15.833 -16.572 1.00 32.22 C ATOM 356 O CYS A 28 -2.023 -15.076 -15.644 1.00 61.02 O ATOM 357 CB CYS A 28 -1.688 -15.477 -18.969 1.00 22.23 C ATOM 358 SG CYS A 28 -2.645 -13.943 -18.746 1.00 21.31 S ATOM 0 H CYS A 28 -1.610 -17.944 -18.714 1.00 74.44 H new ATOM 0 HA CYS A 28 -0.316 -15.791 -17.343 1.00 51.51 H new ATOM 0 HB2 CYS A 28 -0.785 -15.250 -19.536 1.00 22.23 H new ATOM 0 HB3 CYS A 28 -2.274 -16.174 -19.568 1.00 22.23 H new ATOM 363 N CYS A 29 -3.502 -16.408 -16.693 1.00 21.43 N ATOM 364 CA CYS A 29 -4.565 -16.178 -15.722 1.00 22.12 C ATOM 365 C CYS A 29 -4.057 -16.390 -14.299 1.00 4.25 C ATOM 366 O CYS A 29 -4.468 -15.694 -13.371 1.00 74.31 O ATOM 367 CB CYS A 29 -5.746 -17.110 -15.997 1.00 74.20 C ATOM 368 SG CYS A 29 -6.858 -16.531 -17.318 1.00 55.43 S ATOM 0 H CYS A 29 -3.756 -17.037 -17.455 1.00 21.43 H new ATOM 0 HA CYS A 29 -4.896 -15.144 -15.821 1.00 22.12 H new ATOM 0 HB2 CYS A 29 -5.363 -18.095 -16.265 1.00 74.20 H new ATOM 0 HB3 CYS A 29 -6.321 -17.230 -15.079 1.00 74.20 H new ATOM 373 N GLY A 30 -3.158 -17.356 -14.134 1.00 70.13 N ATOM 374 CA GLY A 30 -2.608 -17.642 -12.822 1.00 70.52 C ATOM 375 C GLY A 30 -2.016 -16.414 -12.161 1.00 42.21 C ATOM 376 O GLY A 30 -2.201 -16.194 -10.965 1.00 11.30 O ATOM 0 H GLY A 30 -2.801 -17.946 -14.886 1.00 70.13 H new ATOM 0 HA2 GLY A 30 -3.392 -18.052 -12.185 1.00 70.52 H new ATOM 0 HA3 GLY A 30 -1.838 -18.408 -12.913 1.00 70.52 H new ATOM 380 N GLY A 31 -1.299 -15.611 -12.942 1.00 1.23 N ATOM 381 CA GLY A 31 -0.687 -14.409 -12.407 1.00 2.33 C ATOM 382 C GLY A 31 -1.691 -13.295 -12.187 1.00 33.01 C ATOM 383 O GLY A 31 -1.651 -12.605 -11.168 1.00 51.34 O ATOM 0 H GLY A 31 -1.131 -15.772 -13.935 1.00 1.23 H new ATOM 0 HA2 GLY A 31 -0.197 -14.644 -11.462 1.00 2.33 H new ATOM 0 HA3 GLY A 31 0.089 -14.065 -13.091 1.00 2.33 H new ATOM 387 N VAL A 32 -2.595 -13.118 -13.145 1.00 50.35 N ATOM 388 CA VAL A 32 -3.614 -12.079 -13.052 1.00 74.35 C ATOM 389 C VAL A 32 -4.353 -12.152 -11.721 1.00 4.44 C ATOM 390 O VAL A 32 -4.573 -11.134 -11.064 1.00 1.22 O ATOM 391 CB VAL A 32 -4.636 -12.191 -14.200 1.00 21.32 C ATOM 392 CG1 VAL A 32 -5.697 -11.108 -14.078 1.00 21.21 C ATOM 393 CG2 VAL A 32 -3.934 -12.112 -15.547 1.00 60.41 C ATOM 0 H VAL A 32 -2.643 -13.681 -13.994 1.00 50.35 H new ATOM 0 HA VAL A 32 -3.098 -11.122 -13.126 1.00 74.35 H new ATOM 0 HB VAL A 32 -5.131 -13.160 -14.130 1.00 21.32 H new ATOM 0 HG11 VAL A 32 -6.410 -11.203 -14.897 1.00 21.21 H new ATOM 0 HG12 VAL A 32 -6.220 -11.216 -13.128 1.00 21.21 H new ATOM 0 HG13 VAL A 32 -5.223 -10.128 -14.122 1.00 21.21 H new ATOM 0 HG21 VAL A 32 -4.671 -12.193 -16.346 1.00 60.41 H new ATOM 0 HG22 VAL A 32 -3.412 -11.159 -15.630 1.00 60.41 H new ATOM 0 HG23 VAL A 32 -3.216 -12.928 -15.631 1.00 60.41 H new ATOM 403 N LYS A 33 -4.733 -13.362 -11.326 1.00 62.22 N ATOM 404 CA LYS A 33 -5.445 -13.570 -10.071 1.00 52.21 C ATOM 405 C LYS A 33 -4.580 -13.167 -8.881 1.00 50.22 C ATOM 406 O LYS A 33 -5.056 -12.528 -7.943 1.00 4.44 O ATOM 407 CB LYS A 33 -5.866 -15.035 -9.936 1.00 51.01 C ATOM 408 CG LYS A 33 -6.834 -15.492 -11.014 1.00 43.42 C ATOM 409 CD LYS A 33 -6.620 -16.953 -11.373 1.00 42.50 C ATOM 410 CE LYS A 33 -7.755 -17.488 -12.232 1.00 13.50 C ATOM 411 NZ LYS A 33 -8.642 -18.409 -11.469 1.00 25.24 N ATOM 0 H LYS A 33 -4.559 -14.215 -11.858 1.00 62.22 H new ATOM 0 HA LYS A 33 -6.336 -12.942 -10.080 1.00 52.21 H new ATOM 0 HB2 LYS A 33 -4.977 -15.664 -9.968 1.00 51.01 H new ATOM 0 HB3 LYS A 33 -6.327 -15.183 -8.959 1.00 51.01 H new ATOM 0 HG2 LYS A 33 -7.858 -15.347 -10.670 1.00 43.42 H new ATOM 0 HG3 LYS A 33 -6.707 -14.875 -11.904 1.00 43.42 H new ATOM 0 HD2 LYS A 33 -5.676 -17.063 -11.906 1.00 42.50 H new ATOM 0 HD3 LYS A 33 -6.542 -17.545 -10.461 1.00 42.50 H new ATOM 0 HE2 LYS A 33 -8.342 -16.655 -12.618 1.00 13.50 H new ATOM 0 HE3 LYS A 33 -7.342 -18.013 -13.094 1.00 13.50 H new ATOM 0 HZ1 LYS A 33 -9.403 -18.752 -12.090 1.00 25.24 H new ATOM 0 HZ2 LYS A 33 -8.087 -19.217 -11.122 1.00 25.24 H new ATOM 0 HZ3 LYS A 33 -9.056 -17.902 -10.661 1.00 25.24 H new ATOM 425 N LYS A 34 -3.307 -13.543 -8.927 1.00 64.20 N ATOM 426 CA LYS A 34 -2.373 -13.219 -7.855 1.00 33.13 C ATOM 427 C LYS A 34 -2.186 -11.710 -7.734 1.00 62.13 C ATOM 428 O LYS A 34 -2.091 -11.172 -6.630 1.00 71.13 O ATOM 429 CB LYS A 34 -1.023 -13.893 -8.105 1.00 65.22 C ATOM 430 CG LYS A 34 0.048 -13.501 -7.102 1.00 4.10 C ATOM 431 CD LYS A 34 1.066 -14.613 -6.909 1.00 41.34 C ATOM 432 CE LYS A 34 1.827 -14.451 -5.602 1.00 60.53 C ATOM 433 NZ LYS A 34 3.034 -13.595 -5.765 1.00 63.03 N ATOM 0 H LYS A 34 -2.898 -14.073 -9.696 1.00 64.20 H new ATOM 0 HA LYS A 34 -2.790 -13.592 -6.919 1.00 33.13 H new ATOM 0 HB2 LYS A 34 -1.156 -14.975 -8.078 1.00 65.22 H new ATOM 0 HB3 LYS A 34 -0.680 -13.639 -9.108 1.00 65.22 H new ATOM 0 HG2 LYS A 34 0.554 -12.598 -7.443 1.00 4.10 H new ATOM 0 HG3 LYS A 34 -0.418 -13.263 -6.146 1.00 4.10 H new ATOM 0 HD2 LYS A 34 0.559 -15.578 -6.919 1.00 41.34 H new ATOM 0 HD3 LYS A 34 1.768 -14.614 -7.743 1.00 41.34 H new ATOM 0 HE2 LYS A 34 1.170 -14.013 -4.851 1.00 60.53 H new ATOM 0 HE3 LYS A 34 2.125 -15.432 -5.231 1.00 60.53 H new ATOM 0 HZ1 LYS A 34 3.525 -13.509 -4.852 1.00 63.03 H new ATOM 0 HZ2 LYS A 34 3.674 -14.026 -6.463 1.00 63.03 H new ATOM 0 HZ3 LYS A 34 2.748 -12.651 -6.094 1.00 63.03 H new ATOM 447 N LEU A 35 -2.134 -11.032 -8.875 1.00 72.15 N ATOM 448 CA LEU A 35 -1.960 -9.584 -8.898 1.00 4.01 C ATOM 449 C LEU A 35 -3.174 -8.880 -8.301 1.00 40.21 C ATOM 450 O LEU A 35 -3.044 -8.052 -7.398 1.00 44.14 O ATOM 451 CB LEU A 35 -1.728 -9.100 -10.331 1.00 34.54 C ATOM 452 CG LEU A 35 -1.861 -7.595 -10.560 1.00 50.44 C ATOM 453 CD1 LEU A 35 -0.919 -6.830 -9.644 1.00 45.32 C ATOM 454 CD2 LEU A 35 -1.587 -7.251 -12.017 1.00 62.23 C ATOM 0 H LEU A 35 -2.210 -11.462 -9.797 1.00 72.15 H new ATOM 0 HA LEU A 35 -1.087 -9.338 -8.293 1.00 4.01 H new ATOM 0 HB2 LEU A 35 -0.729 -9.407 -10.640 1.00 34.54 H new ATOM 0 HB3 LEU A 35 -2.435 -9.611 -10.985 1.00 34.54 H new ATOM 0 HG LEU A 35 -2.883 -7.300 -10.324 1.00 50.44 H new ATOM 0 HD11 LEU A 35 -1.028 -5.760 -9.822 1.00 45.32 H new ATOM 0 HD12 LEU A 35 -1.162 -7.052 -8.605 1.00 45.32 H new ATOM 0 HD13 LEU A 35 0.109 -7.129 -9.848 1.00 45.32 H new ATOM 0 HD21 LEU A 35 -1.686 -6.175 -12.162 1.00 62.23 H new ATOM 0 HD22 LEU A 35 -0.576 -7.561 -12.280 1.00 62.23 H new ATOM 0 HD23 LEU A 35 -2.303 -7.770 -12.654 1.00 62.23 H new ATOM 466 N LEU A 36 -4.355 -9.215 -8.809 1.00 64.23 N ATOM 467 CA LEU A 36 -5.594 -8.617 -8.325 1.00 42.21 C ATOM 468 C LEU A 36 -5.852 -9.001 -6.872 1.00 13.43 C ATOM 469 O LEU A 36 -6.329 -8.188 -6.080 1.00 54.03 O ATOM 470 CB LEU A 36 -6.771 -9.057 -9.198 1.00 3.23 C ATOM 471 CG LEU A 36 -6.842 -8.433 -10.592 1.00 35.20 C ATOM 472 CD1 LEU A 36 -7.919 -9.111 -11.425 1.00 71.12 C ATOM 473 CD2 LEU A 36 -7.104 -6.937 -10.494 1.00 71.33 C ATOM 0 H LEU A 36 -4.480 -9.898 -9.556 1.00 64.23 H new ATOM 0 HA LEU A 36 -5.493 -7.533 -8.383 1.00 42.21 H new ATOM 0 HB2 LEU A 36 -6.731 -10.141 -9.308 1.00 3.23 H new ATOM 0 HB3 LEU A 36 -7.696 -8.825 -8.670 1.00 3.23 H new ATOM 0 HG LEU A 36 -5.882 -8.582 -11.086 1.00 35.20 H new ATOM 0 HD11 LEU A 36 -7.956 -8.654 -12.414 1.00 71.12 H new ATOM 0 HD12 LEU A 36 -7.689 -10.172 -11.524 1.00 71.12 H new ATOM 0 HD13 LEU A 36 -8.886 -8.994 -10.935 1.00 71.12 H new ATOM 0 HD21 LEU A 36 -7.151 -6.510 -11.496 1.00 71.33 H new ATOM 0 HD22 LEU A 36 -8.051 -6.766 -9.981 1.00 71.33 H new ATOM 0 HD23 LEU A 36 -6.298 -6.462 -9.935 1.00 71.33 H new ATOM 485 N ALA A 37 -5.532 -10.244 -6.527 1.00 42.43 N ATOM 486 CA ALA A 37 -5.725 -10.734 -5.168 1.00 52.33 C ATOM 487 C ALA A 37 -4.839 -9.981 -4.182 1.00 24.21 C ATOM 488 O ALA A 37 -5.136 -9.917 -2.990 1.00 11.34 O ATOM 489 CB ALA A 37 -5.444 -12.227 -5.101 1.00 24.42 C ATOM 0 H ALA A 37 -5.138 -10.930 -7.171 1.00 42.43 H new ATOM 0 HA ALA A 37 -6.764 -10.559 -4.889 1.00 52.33 H new ATOM 0 HB1 ALA A 37 -5.592 -12.580 -4.080 1.00 24.42 H new ATOM 0 HB2 ALA A 37 -6.124 -12.755 -5.770 1.00 24.42 H new ATOM 0 HB3 ALA A 37 -4.415 -12.418 -5.405 1.00 24.42 H new ATOM 495 N ALA A 38 -3.748 -9.414 -4.687 1.00 61.32 N ATOM 496 CA ALA A 38 -2.819 -8.665 -3.850 1.00 62.24 C ATOM 497 C ALA A 38 -3.309 -7.239 -3.627 1.00 10.33 C ATOM 498 O ALA A 38 -3.129 -6.672 -2.549 1.00 70.31 O ATOM 499 CB ALA A 38 -1.433 -8.657 -4.478 1.00 4.32 C ATOM 0 H ALA A 38 -3.486 -9.459 -5.672 1.00 61.32 H new ATOM 0 HA ALA A 38 -2.764 -9.158 -2.879 1.00 62.24 H new ATOM 0 HB1 ALA A 38 -0.749 -8.094 -3.843 1.00 4.32 H new ATOM 0 HB2 ALA A 38 -1.074 -9.681 -4.580 1.00 4.32 H new ATOM 0 HB3 ALA A 38 -1.482 -8.190 -5.462 1.00 4.32 H new ATOM 505 N ALA A 39 -3.929 -6.663 -4.652 1.00 24.21 N ATOM 506 CA ALA A 39 -4.446 -5.303 -4.566 1.00 62.22 C ATOM 507 C ALA A 39 -5.733 -5.256 -3.750 1.00 10.20 C ATOM 508 O ALA A 39 -6.810 -5.001 -4.287 1.00 12.33 O ATOM 509 CB ALA A 39 -4.681 -4.739 -5.960 1.00 31.24 C ATOM 0 H ALA A 39 -4.085 -7.117 -5.552 1.00 24.21 H new ATOM 0 HA ALA A 39 -3.702 -4.689 -4.058 1.00 62.22 H new ATOM 0 HB1 ALA A 39 -5.067 -3.723 -5.881 1.00 31.24 H new ATOM 0 HB2 ALA A 39 -3.741 -4.728 -6.511 1.00 31.24 H new ATOM 0 HB3 ALA A 39 -5.404 -5.362 -6.487 1.00 31.24 H new ATOM 515 N ASN A 40 -5.613 -5.504 -2.450 1.00 12.12 N ATOM 516 CA ASN A 40 -6.768 -5.491 -1.560 1.00 14.45 C ATOM 517 C ASN A 40 -6.887 -4.150 -0.842 1.00 5.43 C ATOM 518 O ASN A 40 -7.916 -3.843 -0.239 1.00 70.22 O ATOM 519 CB ASN A 40 -6.662 -6.622 -0.535 1.00 72.44 C ATOM 520 CG ASN A 40 -8.012 -7.020 0.029 1.00 75.13 C ATOM 521 OD1 ASN A 40 -9.036 -6.419 -0.298 1.00 42.22 O ATOM 522 ND2 ASN A 40 -8.021 -8.038 0.881 1.00 24.23 N ATOM 0 H ASN A 40 -4.728 -5.716 -1.990 1.00 12.12 H new ATOM 0 HA ASN A 40 -7.662 -5.640 -2.165 1.00 14.45 H new ATOM 0 HB2 ASN A 40 -6.197 -7.490 -1.002 1.00 72.44 H new ATOM 0 HB3 ASN A 40 -6.009 -6.310 0.280 1.00 72.44 H new ATOM 0 HD21 ASN A 40 -8.900 -8.351 1.293 1.00 24.23 H new ATOM 0 HD22 ASN A 40 -7.149 -8.507 1.124 1.00 24.23 H new ATOM 529 N THR A 41 -5.825 -3.352 -0.910 1.00 70.04 N ATOM 530 CA THR A 41 -5.809 -2.044 -0.267 1.00 63.33 C ATOM 531 C THR A 41 -5.931 -0.925 -1.295 1.00 1.22 C ATOM 532 O THR A 41 -5.805 -1.155 -2.498 1.00 72.10 O ATOM 533 CB THR A 41 -4.520 -1.837 0.551 1.00 51.54 C ATOM 534 OG1 THR A 41 -3.495 -2.720 0.083 1.00 71.31 O ATOM 535 CG2 THR A 41 -4.773 -2.083 2.030 1.00 1.04 C ATOM 0 H THR A 41 -4.965 -3.589 -1.404 1.00 70.04 H new ATOM 0 HA THR A 41 -6.666 -2.011 0.405 1.00 63.33 H new ATOM 0 HB THR A 41 -4.195 -0.805 0.421 1.00 51.54 H new ATOM 0 HG1 THR A 41 -2.742 -2.709 0.711 1.00 71.31 H new ATOM 0 HG21 THR A 41 -3.849 -1.931 2.587 1.00 1.04 H new ATOM 0 HG22 THR A 41 -5.532 -1.388 2.390 1.00 1.04 H new ATOM 0 HG23 THR A 41 -5.120 -3.106 2.175 1.00 1.04 H new ATOM 543 N THR A 42 -6.176 0.290 -0.813 1.00 73.14 N ATOM 544 CA THR A 42 -6.316 1.446 -1.690 1.00 61.32 C ATOM 545 C THR A 42 -4.993 1.786 -2.366 1.00 4.21 C ATOM 546 O THR A 42 -4.902 1.895 -3.589 1.00 73.40 O ATOM 547 CB THR A 42 -6.817 2.680 -0.917 1.00 40.10 C ATOM 548 OG1 THR A 42 -8.232 2.591 -0.716 1.00 21.03 O ATOM 549 CG2 THR A 42 -6.486 3.961 -1.669 1.00 33.51 C ATOM 0 H THR A 42 -6.282 0.499 0.180 1.00 73.14 H new ATOM 0 HA THR A 42 -7.051 1.180 -2.450 1.00 61.32 H new ATOM 0 HB THR A 42 -6.314 2.705 0.050 1.00 40.10 H new ATOM 0 HG1 THR A 42 -8.542 3.379 -0.222 1.00 21.03 H new ATOM 0 HG21 THR A 42 -6.850 4.819 -1.104 1.00 33.51 H new ATOM 0 HG22 THR A 42 -5.406 4.040 -1.795 1.00 33.51 H new ATOM 0 HG23 THR A 42 -6.965 3.942 -2.648 1.00 33.51 H new ATOM 557 N PRO A 43 -3.939 1.959 -1.553 1.00 74.34 N ATOM 558 CA PRO A 43 -2.601 2.288 -2.052 1.00 2.34 C ATOM 559 C PRO A 43 -1.958 1.125 -2.799 1.00 42.11 C ATOM 560 O PRO A 43 -0.918 1.285 -3.439 1.00 21.35 O ATOM 561 CB PRO A 43 -1.815 2.604 -0.776 1.00 74.13 C ATOM 562 CG PRO A 43 -2.521 1.852 0.299 1.00 64.41 C ATOM 563 CD PRO A 43 -3.974 1.845 -0.086 1.00 33.23 C ATOM 0 HA PRO A 43 -2.624 3.108 -2.770 1.00 2.34 H new ATOM 0 HB2 PRO A 43 -0.775 2.288 -0.863 1.00 74.13 H new ATOM 0 HB3 PRO A 43 -1.807 3.674 -0.571 1.00 74.13 H new ATOM 0 HG2 PRO A 43 -2.135 0.836 0.383 1.00 64.41 H new ATOM 0 HG3 PRO A 43 -2.376 2.329 1.268 1.00 64.41 H new ATOM 0 HD2 PRO A 43 -4.470 0.929 0.234 1.00 33.23 H new ATOM 0 HD3 PRO A 43 -4.514 2.675 0.369 1.00 33.23 H new ATOM 571 N ASP A 44 -2.583 -0.044 -2.715 1.00 1.03 N ATOM 572 CA ASP A 44 -2.072 -1.234 -3.385 1.00 31.32 C ATOM 573 C ASP A 44 -2.595 -1.319 -4.816 1.00 5.34 C ATOM 574 O ASP A 44 -1.881 -1.747 -5.723 1.00 33.30 O ATOM 575 CB ASP A 44 -2.468 -2.492 -2.609 1.00 41.32 C ATOM 576 CG ASP A 44 -1.433 -2.881 -1.572 1.00 35.44 C ATOM 577 OD1 ASP A 44 -0.581 -2.032 -1.235 1.00 35.53 O ATOM 578 OD2 ASP A 44 -1.476 -4.035 -1.096 1.00 15.02 O ATOM 0 H ASP A 44 -3.444 -0.193 -2.189 1.00 1.03 H new ATOM 0 HA ASP A 44 -0.985 -1.164 -3.418 1.00 31.32 H new ATOM 0 HB2 ASP A 44 -3.426 -2.326 -2.117 1.00 41.32 H new ATOM 0 HB3 ASP A 44 -2.607 -3.318 -3.307 1.00 41.32 H new ATOM 583 N ARG A 45 -3.844 -0.908 -5.009 1.00 64.23 N ATOM 584 CA ARG A 45 -4.462 -0.940 -6.329 1.00 52.31 C ATOM 585 C ARG A 45 -3.938 0.196 -7.202 1.00 41.45 C ATOM 586 O ARG A 45 -3.633 -0.003 -8.378 1.00 2.50 O ATOM 587 CB ARG A 45 -5.984 -0.841 -6.205 1.00 62.41 C ATOM 588 CG ARG A 45 -6.607 -1.992 -5.433 1.00 35.43 C ATOM 589 CD ARG A 45 -7.379 -2.927 -6.352 1.00 1.33 C ATOM 590 NE ARG A 45 -8.380 -2.214 -7.142 1.00 24.34 N ATOM 591 CZ ARG A 45 -9.589 -1.904 -6.688 1.00 50.12 C ATOM 592 NH1 ARG A 45 -9.946 -2.241 -5.457 1.00 24.25 N ATOM 593 NH2 ARG A 45 -10.444 -1.254 -7.467 1.00 74.33 N ATOM 0 H ARG A 45 -4.447 -0.549 -4.269 1.00 64.23 H new ATOM 0 HA ARG A 45 -4.203 -1.888 -6.801 1.00 52.31 H new ATOM 0 HB2 ARG A 45 -6.240 0.097 -5.712 1.00 62.41 H new ATOM 0 HB3 ARG A 45 -6.420 -0.806 -7.203 1.00 62.41 H new ATOM 0 HG2 ARG A 45 -5.826 -2.550 -4.917 1.00 35.43 H new ATOM 0 HG3 ARG A 45 -7.276 -1.598 -4.668 1.00 35.43 H new ATOM 0 HD2 ARG A 45 -6.683 -3.434 -7.021 1.00 1.33 H new ATOM 0 HD3 ARG A 45 -7.869 -3.698 -5.757 1.00 1.33 H new ATOM 0 HE ARG A 45 -8.137 -1.939 -8.094 1.00 24.34 H new ATOM 0 HH11 ARG A 45 -9.291 -2.740 -4.855 1.00 24.25 H new ATOM 0 HH12 ARG A 45 -10.875 -2.001 -5.112 1.00 24.25 H new ATOM 0 HH21 ARG A 45 -10.173 -0.992 -8.415 1.00 74.33 H new ATOM 0 HH22 ARG A 45 -11.372 -1.016 -7.118 1.00 74.33 H new ATOM 607 N GLN A 46 -3.837 1.386 -6.619 1.00 50.30 N ATOM 608 CA GLN A 46 -3.351 2.554 -7.345 1.00 30.21 C ATOM 609 C GLN A 46 -1.983 2.281 -7.961 1.00 60.13 C ATOM 610 O GLN A 46 -1.796 2.424 -9.169 1.00 61.01 O ATOM 611 CB GLN A 46 -3.271 3.764 -6.412 1.00 72.33 C ATOM 612 CG GLN A 46 -4.620 4.195 -5.859 1.00 24.14 C ATOM 613 CD GLN A 46 -4.546 5.503 -5.095 1.00 62.34 C ATOM 614 OE1 GLN A 46 -5.455 6.330 -5.169 1.00 33.35 O ATOM 615 NE2 GLN A 46 -3.460 5.697 -4.357 1.00 5.02 N ATOM 0 H GLN A 46 -4.085 1.567 -5.646 1.00 50.30 H new ATOM 0 HA GLN A 46 -4.055 2.770 -8.149 1.00 30.21 H new ATOM 0 HB2 GLN A 46 -2.605 3.529 -5.582 1.00 72.33 H new ATOM 0 HB3 GLN A 46 -2.825 4.600 -6.951 1.00 72.33 H new ATOM 0 HG2 GLN A 46 -5.329 4.298 -6.680 1.00 24.14 H new ATOM 0 HG3 GLN A 46 -5.005 3.416 -5.201 1.00 24.14 H new ATOM 0 HE21 GLN A 46 -2.731 4.984 -4.325 1.00 5.02 H new ATOM 0 HE22 GLN A 46 -3.354 6.559 -3.822 1.00 5.02 H new ATOM 624 N ALA A 47 -1.030 1.888 -7.123 1.00 64.51 N ATOM 625 CA ALA A 47 0.321 1.593 -7.586 1.00 52.10 C ATOM 626 C ALA A 47 0.312 0.489 -8.638 1.00 40.20 C ATOM 627 O ALA A 47 0.957 0.606 -9.680 1.00 12.44 O ATOM 628 CB ALA A 47 1.207 1.200 -6.413 1.00 51.12 C ATOM 0 H ALA A 47 -1.168 1.766 -6.120 1.00 64.51 H new ATOM 0 HA ALA A 47 0.726 2.494 -8.047 1.00 52.10 H new ATOM 0 HB1 ALA A 47 2.212 0.983 -6.773 1.00 51.12 H new ATOM 0 HB2 ALA A 47 1.248 2.021 -5.697 1.00 51.12 H new ATOM 0 HB3 ALA A 47 0.796 0.315 -5.927 1.00 51.12 H new ATOM 634 N ALA A 48 -0.422 -0.583 -8.358 1.00 51.31 N ATOM 635 CA ALA A 48 -0.515 -1.707 -9.281 1.00 54.12 C ATOM 636 C ALA A 48 -0.876 -1.235 -10.686 1.00 23.41 C ATOM 637 O ALA A 48 -0.153 -1.503 -11.646 1.00 42.22 O ATOM 638 CB ALA A 48 -1.539 -2.716 -8.782 1.00 51.12 C ATOM 0 H ALA A 48 -0.961 -0.696 -7.499 1.00 51.31 H new ATOM 0 HA ALA A 48 0.461 -2.189 -9.327 1.00 54.12 H new ATOM 0 HB1 ALA A 48 -1.598 -3.550 -9.481 1.00 51.12 H new ATOM 0 HB2 ALA A 48 -1.238 -3.085 -7.801 1.00 51.12 H new ATOM 0 HB3 ALA A 48 -2.515 -2.237 -8.706 1.00 51.12 H new ATOM 644 N CYS A 49 -1.998 -0.533 -10.799 1.00 70.15 N ATOM 645 CA CYS A 49 -2.456 -0.025 -12.087 1.00 43.00 C ATOM 646 C CYS A 49 -1.439 0.945 -12.682 1.00 2.15 C ATOM 647 O CYS A 49 -0.924 0.726 -13.777 1.00 25.11 O ATOM 648 CB CYS A 49 -3.810 0.670 -11.932 1.00 60.14 C ATOM 649 SG CYS A 49 -4.503 1.304 -13.493 1.00 61.34 S ATOM 0 H CYS A 49 -2.607 -0.303 -10.014 1.00 70.15 H new ATOM 0 HA CYS A 49 -2.565 -0.871 -12.766 1.00 43.00 H new ATOM 0 HB2 CYS A 49 -4.518 -0.032 -11.491 1.00 60.14 H new ATOM 0 HB3 CYS A 49 -3.703 1.498 -11.231 1.00 60.14 H new ATOM 654 N ASN A 50 -1.155 2.018 -11.950 1.00 53.23 N ATOM 655 CA ASN A 50 -0.200 3.022 -12.405 1.00 14.41 C ATOM 656 C ASN A 50 1.080 2.366 -12.911 1.00 63.50 C ATOM 657 O ASN A 50 1.661 2.798 -13.907 1.00 4.23 O ATOM 658 CB ASN A 50 0.126 3.996 -11.271 1.00 23.03 C ATOM 659 CG ASN A 50 -1.077 4.816 -10.848 1.00 33.22 C ATOM 660 OD1 ASN A 50 -1.201 5.058 -9.548 1.00 60.32 O flip ATOM 661 ND2 ASN A 50 -1.886 5.227 -11.680 1.00 20.20 N flip ATOM 0 H ASN A 50 -1.572 2.214 -11.040 1.00 53.23 H new ATOM 0 HA ASN A 50 -0.654 3.573 -13.229 1.00 14.41 H new ATOM 0 HB2 ASN A 50 0.501 3.438 -10.413 1.00 23.03 H new ATOM 0 HB3 ASN A 50 0.925 4.666 -11.590 1.00 23.03 H new ATOM 0 HD21 ASN A 50 -1.751 5.017 -12.669 1.00 20.20 H new ATOM 0 HD22 ASN A 50 -2.691 5.777 -11.380 1.00 20.20 H new ATOM 668 N CYS A 51 1.515 1.318 -12.219 1.00 33.31 N ATOM 669 CA CYS A 51 2.726 0.600 -12.597 1.00 31.22 C ATOM 670 C CYS A 51 2.606 0.038 -14.010 1.00 63.54 C ATOM 671 O CYS A 51 3.524 0.167 -14.822 1.00 20.12 O ATOM 672 CB CYS A 51 3.002 -0.534 -11.607 1.00 10.41 C ATOM 673 SG CYS A 51 4.047 -0.050 -10.195 1.00 54.21 S ATOM 0 H CYS A 51 1.046 0.947 -11.393 1.00 33.31 H new ATOM 0 HA CYS A 51 3.558 1.304 -12.574 1.00 31.22 H new ATOM 0 HB2 CYS A 51 2.052 -0.912 -11.229 1.00 10.41 H new ATOM 0 HB3 CYS A 51 3.484 -1.356 -12.137 1.00 10.41 H new ATOM 678 N LEU A 52 1.470 -0.587 -14.298 1.00 54.34 N ATOM 679 CA LEU A 52 1.229 -1.169 -15.614 1.00 54.01 C ATOM 680 C LEU A 52 0.906 -0.086 -16.638 1.00 44.43 C ATOM 681 O LEU A 52 1.116 -0.268 -17.838 1.00 10.32 O ATOM 682 CB LEU A 52 0.081 -2.178 -15.544 1.00 63.34 C ATOM 683 CG LEU A 52 0.279 -3.355 -14.588 1.00 4.32 C ATOM 684 CD1 LEU A 52 -0.882 -4.331 -14.695 1.00 65.21 C ATOM 685 CD2 LEU A 52 1.598 -4.058 -14.873 1.00 44.12 C ATOM 0 H LEU A 52 0.701 -0.704 -13.638 1.00 54.34 H new ATOM 0 HA LEU A 52 2.138 -1.682 -15.929 1.00 54.01 H new ATOM 0 HB2 LEU A 52 -0.825 -1.647 -15.252 1.00 63.34 H new ATOM 0 HB3 LEU A 52 -0.090 -2.574 -16.545 1.00 63.34 H new ATOM 0 HG LEU A 52 0.309 -2.969 -13.569 1.00 4.32 H new ATOM 0 HD11 LEU A 52 -0.723 -5.162 -14.007 1.00 65.21 H new ATOM 0 HD12 LEU A 52 -1.811 -3.821 -14.440 1.00 65.21 H new ATOM 0 HD13 LEU A 52 -0.945 -4.711 -15.715 1.00 65.21 H new ATOM 0 HD21 LEU A 52 1.722 -4.893 -14.183 1.00 44.12 H new ATOM 0 HD22 LEU A 52 1.598 -4.431 -15.897 1.00 44.12 H new ATOM 0 HD23 LEU A 52 2.421 -3.355 -14.743 1.00 44.12 H new ATOM 697 N LYS A 53 0.397 1.044 -16.157 1.00 65.53 N ATOM 698 CA LYS A 53 0.049 2.159 -17.029 1.00 42.03 C ATOM 699 C LYS A 53 1.299 2.778 -17.646 1.00 43.31 C ATOM 700 O LYS A 53 1.320 3.109 -18.832 1.00 35.33 O ATOM 701 CB LYS A 53 -0.727 3.222 -16.247 1.00 65.54 C ATOM 702 CG LYS A 53 -1.995 2.694 -15.599 1.00 50.53 C ATOM 703 CD LYS A 53 -3.238 3.286 -16.244 1.00 24.05 C ATOM 704 CE LYS A 53 -3.401 2.812 -17.679 1.00 64.54 C ATOM 705 NZ LYS A 53 -4.045 1.471 -17.751 1.00 31.02 N ATOM 0 H LYS A 53 0.216 1.211 -15.167 1.00 65.53 H new ATOM 0 HA LYS A 53 -0.580 1.776 -17.833 1.00 42.03 H new ATOM 0 HB2 LYS A 53 -0.080 3.638 -15.475 1.00 65.54 H new ATOM 0 HB3 LYS A 53 -0.986 4.040 -16.920 1.00 65.54 H new ATOM 0 HG2 LYS A 53 -2.023 1.608 -15.683 1.00 50.53 H new ATOM 0 HG3 LYS A 53 -1.987 2.932 -14.535 1.00 50.53 H new ATOM 0 HD2 LYS A 53 -4.118 3.006 -15.665 1.00 24.05 H new ATOM 0 HD3 LYS A 53 -3.176 4.374 -16.224 1.00 24.05 H new ATOM 0 HE2 LYS A 53 -4.001 3.533 -18.234 1.00 64.54 H new ATOM 0 HE3 LYS A 53 -2.424 2.772 -18.161 1.00 64.54 H new ATOM 0 HZ1 LYS A 53 -3.897 1.065 -18.697 1.00 31.02 H new ATOM 0 HZ2 LYS A 53 -3.623 0.845 -17.036 1.00 31.02 H new ATOM 0 HZ3 LYS A 53 -5.065 1.566 -17.570 1.00 31.02 H new ATOM 719 N SER A 54 2.341 2.931 -16.834 1.00 53.33 N ATOM 720 CA SER A 54 3.594 3.513 -17.300 1.00 61.02 C ATOM 721 C SER A 54 4.337 2.542 -18.213 1.00 4.23 C ATOM 722 O SER A 54 4.864 2.932 -19.255 1.00 33.04 O ATOM 723 CB SER A 54 4.479 3.891 -16.111 1.00 15.24 C ATOM 724 OG SER A 54 5.846 3.920 -16.481 1.00 1.23 O ATOM 0 H SER A 54 2.342 2.660 -15.851 1.00 53.33 H new ATOM 0 HA SER A 54 3.359 4.413 -17.869 1.00 61.02 H new ATOM 0 HB2 SER A 54 4.182 4.868 -15.729 1.00 15.24 H new ATOM 0 HB3 SER A 54 4.333 3.174 -15.303 1.00 15.24 H new ATOM 0 HG SER A 54 6.390 4.166 -15.704 1.00 1.23 H new ATOM 730 N ALA A 55 4.376 1.275 -17.813 1.00 12.44 N ATOM 731 CA ALA A 55 5.052 0.248 -18.594 1.00 63.31 C ATOM 732 C ALA A 55 4.323 -0.012 -19.908 1.00 42.20 C ATOM 733 O ALA A 55 4.882 -0.600 -20.833 1.00 42.33 O ATOM 734 CB ALA A 55 5.166 -1.038 -17.789 1.00 22.23 C ATOM 0 H ALA A 55 3.947 0.936 -16.952 1.00 12.44 H new ATOM 0 HA ALA A 55 6.054 0.607 -18.829 1.00 63.31 H new ATOM 0 HB1 ALA A 55 5.673 -1.797 -18.385 1.00 22.23 H new ATOM 0 HB2 ALA A 55 5.737 -0.849 -16.880 1.00 22.23 H new ATOM 0 HB3 ALA A 55 4.169 -1.391 -17.524 1.00 22.23 H new ATOM 740 N ALA A 56 3.072 0.430 -19.982 1.00 50.03 N ATOM 741 CA ALA A 56 2.267 0.247 -21.184 1.00 21.54 C ATOM 742 C ALA A 56 2.576 1.321 -22.221 1.00 64.50 C ATOM 743 O ALA A 56 2.463 1.087 -23.424 1.00 22.25 O ATOM 744 CB ALA A 56 0.786 0.259 -20.834 1.00 24.32 C ATOM 0 H ALA A 56 2.594 0.917 -19.224 1.00 50.03 H new ATOM 0 HA ALA A 56 2.519 -0.721 -21.616 1.00 21.54 H new ATOM 0 HB1 ALA A 56 0.197 0.121 -21.741 1.00 24.32 H new ATOM 0 HB2 ALA A 56 0.571 -0.549 -20.135 1.00 24.32 H new ATOM 0 HB3 ALA A 56 0.528 1.214 -20.375 1.00 24.32 H new ATOM 750 N GLY A 57 2.967 2.500 -21.747 1.00 61.10 N ATOM 751 CA GLY A 57 3.286 3.593 -22.647 1.00 73.53 C ATOM 752 C GLY A 57 4.452 3.270 -23.560 1.00 41.23 C ATOM 753 O GLY A 57 4.587 3.854 -24.636 1.00 31.42 O ATOM 0 H GLY A 57 3.069 2.718 -20.756 1.00 61.10 H new ATOM 0 HA2 GLY A 57 2.410 3.830 -23.251 1.00 73.53 H new ATOM 0 HA3 GLY A 57 3.521 4.483 -22.064 1.00 73.53 H new ATOM 757 N SER A 58 5.298 2.340 -23.131 1.00 24.24 N ATOM 758 CA SER A 58 6.463 1.945 -23.915 1.00 33.23 C ATOM 759 C SER A 58 6.116 0.801 -24.863 1.00 24.21 C ATOM 760 O SER A 58 6.973 0.310 -25.600 1.00 14.34 O ATOM 761 CB SER A 58 7.608 1.527 -22.991 1.00 4.33 C ATOM 762 OG SER A 58 8.328 2.657 -22.528 1.00 40.12 O ATOM 0 H SER A 58 5.199 1.845 -22.244 1.00 24.24 H new ATOM 0 HA SER A 58 6.779 2.803 -24.508 1.00 33.23 H new ATOM 0 HB2 SER A 58 7.210 0.972 -22.141 1.00 4.33 H new ATOM 0 HB3 SER A 58 8.282 0.855 -23.523 1.00 4.33 H new ATOM 0 HG SER A 58 9.053 2.363 -21.938 1.00 40.12 H new ATOM 768 N ILE A 59 4.856 0.381 -24.838 1.00 51.32 N ATOM 769 CA ILE A 59 4.395 -0.704 -25.696 1.00 5.33 C ATOM 770 C ILE A 59 3.549 -0.173 -26.848 1.00 2.44 C ATOM 771 O ILE A 59 2.547 0.511 -26.634 1.00 21.42 O ATOM 772 CB ILE A 59 3.573 -1.737 -24.903 1.00 63.24 C ATOM 773 CG1 ILE A 59 4.182 -1.950 -23.516 1.00 13.33 C ATOM 774 CG2 ILE A 59 3.502 -3.053 -25.664 1.00 4.01 C ATOM 775 CD1 ILE A 59 3.439 -2.968 -22.680 1.00 32.32 C ATOM 0 H ILE A 59 4.136 0.775 -24.233 1.00 51.32 H new ATOM 0 HA ILE A 59 5.285 -1.190 -26.097 1.00 5.33 H new ATOM 0 HB ILE A 59 2.559 -1.356 -24.779 1.00 63.24 H new ATOM 0 HG12 ILE A 59 5.218 -2.270 -23.628 1.00 13.33 H new ATOM 0 HG13 ILE A 59 4.198 -0.998 -22.985 1.00 13.33 H new ATOM 0 HG21 ILE A 59 2.918 -3.773 -25.091 1.00 4.01 H new ATOM 0 HG22 ILE A 59 3.028 -2.889 -26.632 1.00 4.01 H new ATOM 0 HG23 ILE A 59 4.509 -3.441 -25.815 1.00 4.01 H new ATOM 0 HD11 ILE A 59 3.926 -3.068 -21.710 1.00 32.32 H new ATOM 0 HD12 ILE A 59 2.410 -2.640 -22.537 1.00 32.32 H new ATOM 0 HD13 ILE A 59 3.445 -3.931 -23.190 1.00 32.32 H new ATOM 787 N THR A 60 3.958 -0.492 -28.072 1.00 31.43 N ATOM 788 CA THR A 60 3.238 -0.049 -29.258 1.00 55.43 C ATOM 789 C THR A 60 2.275 -1.123 -29.751 1.00 61.13 C ATOM 790 O THR A 60 1.245 -0.820 -30.353 1.00 53.22 O ATOM 791 CB THR A 60 4.206 0.320 -30.398 1.00 72.54 C ATOM 792 OG1 THR A 60 3.530 1.117 -31.377 1.00 73.31 O ATOM 793 CG2 THR A 60 4.768 -0.932 -31.056 1.00 54.33 C ATOM 0 H THR A 60 4.785 -1.056 -28.267 1.00 31.43 H new ATOM 0 HA THR A 60 2.672 0.837 -28.971 1.00 55.43 H new ATOM 0 HB THR A 60 5.032 0.891 -29.973 1.00 72.54 H new ATOM 0 HG1 THR A 60 4.153 1.348 -32.097 1.00 73.31 H new ATOM 0 HG21 THR A 60 5.449 -0.647 -31.858 1.00 54.33 H new ATOM 0 HG22 THR A 60 5.307 -1.522 -30.315 1.00 54.33 H new ATOM 0 HG23 THR A 60 3.951 -1.525 -31.467 1.00 54.33 H new ATOM 801 N LYS A 61 2.617 -2.381 -29.492 1.00 53.30 N ATOM 802 CA LYS A 61 1.782 -3.502 -29.907 1.00 41.24 C ATOM 803 C LYS A 61 0.792 -3.879 -28.810 1.00 51.21 C ATOM 804 O LYS A 61 0.185 -4.950 -28.849 1.00 21.14 O ATOM 805 CB LYS A 61 2.653 -4.710 -30.260 1.00 3.42 C ATOM 806 CG LYS A 61 3.148 -4.704 -31.696 1.00 24.33 C ATOM 807 CD LYS A 61 2.063 -5.149 -32.661 1.00 53.45 C ATOM 808 CE LYS A 61 2.655 -5.713 -33.944 1.00 35.42 C ATOM 809 NZ LYS A 61 3.402 -4.680 -34.712 1.00 3.42 N ATOM 0 H LYS A 61 3.467 -2.650 -28.996 1.00 53.30 H new ATOM 0 HA LYS A 61 1.220 -3.197 -30.790 1.00 41.24 H new ATOM 0 HB2 LYS A 61 3.511 -4.737 -29.589 1.00 3.42 H new ATOM 0 HB3 LYS A 61 2.083 -5.622 -30.085 1.00 3.42 H new ATOM 0 HG2 LYS A 61 3.484 -3.702 -31.962 1.00 24.33 H new ATOM 0 HG3 LYS A 61 4.011 -5.364 -31.787 1.00 24.33 H new ATOM 0 HD2 LYS A 61 1.438 -5.904 -32.184 1.00 53.45 H new ATOM 0 HD3 LYS A 61 1.417 -4.304 -32.898 1.00 53.45 H new ATOM 0 HE2 LYS A 61 3.323 -6.540 -33.703 1.00 35.42 H new ATOM 0 HE3 LYS A 61 1.856 -6.119 -34.564 1.00 35.42 H new ATOM 0 HZ1 LYS A 61 3.775 -5.100 -35.587 1.00 3.42 H new ATOM 0 HZ2 LYS A 61 2.763 -3.895 -34.950 1.00 3.42 H new ATOM 0 HZ3 LYS A 61 4.191 -4.322 -34.136 1.00 3.42 H new ATOM 823 N LEU A 62 0.632 -2.992 -27.834 1.00 31.11 N ATOM 824 CA LEU A 62 -0.287 -3.231 -26.726 1.00 63.31 C ATOM 825 C LEU A 62 -1.730 -3.281 -27.217 1.00 12.44 C ATOM 826 O LEU A 62 -2.192 -2.375 -27.910 1.00 64.40 O ATOM 827 CB LEU A 62 -0.133 -2.139 -25.666 1.00 33.41 C ATOM 828 CG LEU A 62 -1.051 -2.253 -24.448 1.00 24.13 C ATOM 829 CD1 LEU A 62 -0.779 -3.546 -23.694 1.00 52.11 C ATOM 830 CD2 LEU A 62 -0.871 -1.052 -23.531 1.00 54.42 C ATOM 0 H LEU A 62 1.126 -2.101 -27.787 1.00 31.11 H new ATOM 0 HA LEU A 62 -0.041 -4.196 -26.283 1.00 63.31 H new ATOM 0 HB2 LEU A 62 0.900 -2.140 -25.319 1.00 33.41 H new ATOM 0 HB3 LEU A 62 -0.309 -1.173 -26.140 1.00 33.41 H new ATOM 0 HG LEU A 62 -2.084 -2.269 -24.796 1.00 24.13 H new ATOM 0 HD11 LEU A 62 -1.441 -3.610 -22.831 1.00 52.11 H new ATOM 0 HD12 LEU A 62 -0.958 -4.396 -24.353 1.00 52.11 H new ATOM 0 HD13 LEU A 62 0.258 -3.560 -23.358 1.00 52.11 H new ATOM 0 HD21 LEU A 62 -1.532 -1.150 -22.670 1.00 54.42 H new ATOM 0 HD22 LEU A 62 0.164 -1.005 -23.191 1.00 54.42 H new ATOM 0 HD23 LEU A 62 -1.116 -0.139 -24.074 1.00 54.42 H new ATOM 842 N ASN A 63 -2.438 -4.344 -26.849 1.00 54.35 N ATOM 843 CA ASN A 63 -3.831 -4.510 -27.251 1.00 24.32 C ATOM 844 C ASN A 63 -4.771 -4.232 -26.082 1.00 2.30 C ATOM 845 O ASN A 63 -5.129 -5.138 -25.329 1.00 13.43 O ATOM 846 CB ASN A 63 -4.064 -5.926 -27.781 1.00 71.34 C ATOM 847 CG ASN A 63 -3.382 -6.164 -29.115 1.00 55.31 C ATOM 848 OD1 ASN A 63 -2.179 -5.945 -29.258 1.00 14.34 O ATOM 849 ND2 ASN A 63 -4.151 -6.614 -30.100 1.00 42.22 N ATOM 0 H ASN A 63 -2.071 -5.102 -26.274 1.00 54.35 H new ATOM 0 HA ASN A 63 -4.043 -3.792 -28.043 1.00 24.32 H new ATOM 0 HB2 ASN A 63 -3.695 -6.649 -27.053 1.00 71.34 H new ATOM 0 HB3 ASN A 63 -5.135 -6.100 -27.887 1.00 71.34 H new ATOM 0 HD21 ASN A 63 -3.749 -6.792 -31.020 1.00 42.22 H new ATOM 0 HD22 ASN A 63 -5.144 -6.782 -29.936 1.00 42.22 H new ATOM 856 N THR A 64 -5.168 -2.971 -25.936 1.00 60.34 N ATOM 857 CA THR A 64 -6.066 -2.572 -24.860 1.00 23.31 C ATOM 858 C THR A 64 -7.303 -3.462 -24.817 1.00 63.15 C ATOM 859 O THR A 64 -7.929 -3.621 -23.770 1.00 63.04 O ATOM 860 CB THR A 64 -6.508 -1.105 -25.012 1.00 41.31 C ATOM 861 OG1 THR A 64 -7.370 -0.968 -26.147 1.00 52.01 O ATOM 862 CG2 THR A 64 -5.303 -0.190 -25.171 1.00 62.14 C ATOM 0 H THR A 64 -4.881 -2.209 -26.550 1.00 60.34 H new ATOM 0 HA THR A 64 -5.511 -2.682 -23.928 1.00 23.31 H new ATOM 0 HB THR A 64 -7.047 -0.816 -24.110 1.00 41.31 H new ATOM 0 HG1 THR A 64 -7.648 -0.032 -26.236 1.00 52.01 H new ATOM 0 HG21 THR A 64 -5.640 0.841 -25.277 1.00 62.14 H new ATOM 0 HG22 THR A 64 -4.664 -0.274 -24.292 1.00 62.14 H new ATOM 0 HG23 THR A 64 -4.740 -0.480 -26.058 1.00 62.14 H new ATOM 870 N ASN A 65 -7.649 -4.041 -25.963 1.00 13.14 N ATOM 871 CA ASN A 65 -8.813 -4.916 -26.056 1.00 4.45 C ATOM 872 C ASN A 65 -8.623 -6.166 -25.202 1.00 4.21 C ATOM 873 O ASN A 65 -9.527 -6.577 -24.476 1.00 63.22 O ATOM 874 CB ASN A 65 -9.063 -5.312 -27.512 1.00 35.12 C ATOM 875 CG ASN A 65 -9.996 -4.349 -28.221 1.00 3.21 C ATOM 876 OD1 ASN A 65 -9.649 -3.781 -29.257 1.00 31.31 O ATOM 877 ND2 ASN A 65 -11.186 -4.160 -27.664 1.00 13.11 N ATOM 0 H ASN A 65 -7.141 -3.920 -26.839 1.00 13.14 H new ATOM 0 HA ASN A 65 -9.679 -4.370 -25.681 1.00 4.45 H new ATOM 0 HB2 ASN A 65 -8.112 -5.350 -28.044 1.00 35.12 H new ATOM 0 HB3 ASN A 65 -9.487 -6.315 -27.545 1.00 35.12 H new ATOM 0 HD21 ASN A 65 -11.855 -3.523 -28.095 1.00 13.11 H new ATOM 0 HD22 ASN A 65 -11.431 -4.652 -26.805 1.00 13.11 H new ATOM 884 N ASN A 66 -7.440 -6.765 -25.295 1.00 2.25 N ATOM 885 CA ASN A 66 -7.131 -7.968 -24.531 1.00 24.22 C ATOM 886 C ASN A 66 -6.866 -7.630 -23.067 1.00 31.33 C ATOM 887 O ASN A 66 -7.008 -8.480 -22.188 1.00 0.33 O ATOM 888 CB ASN A 66 -5.915 -8.679 -25.129 1.00 51.04 C ATOM 889 CG ASN A 66 -6.197 -9.245 -26.508 1.00 33.45 C ATOM 890 OD1 ASN A 66 -5.333 -8.930 -27.465 1.00 0.05 O flip ATOM 891 ND2 ASN A 66 -7.181 -9.958 -26.709 1.00 23.31 N flip ATOM 0 H ASN A 66 -6.680 -6.437 -25.891 1.00 2.25 H new ATOM 0 HA ASN A 66 -7.994 -8.632 -24.582 1.00 24.22 H new ATOM 0 HB2 ASN A 66 -5.082 -7.979 -25.190 1.00 51.04 H new ATOM 0 HB3 ASN A 66 -5.606 -9.486 -24.464 1.00 51.04 H new ATOM 0 HD21 ASN A 66 -7.819 -10.174 -25.943 1.00 23.31 H new ATOM 0 HD22 ASN A 66 -7.358 -10.332 -27.641 1.00 23.31 H new ATOM 898 N ALA A 67 -6.481 -6.384 -22.813 1.00 15.31 N ATOM 899 CA ALA A 67 -6.200 -5.932 -21.456 1.00 22.41 C ATOM 900 C ALA A 67 -7.484 -5.795 -20.645 1.00 52.24 C ATOM 901 O ALA A 67 -7.505 -6.072 -19.447 1.00 15.14 O ATOM 902 CB ALA A 67 -5.447 -4.610 -21.485 1.00 34.32 C ATOM 0 H ALA A 67 -6.356 -5.669 -23.530 1.00 15.31 H new ATOM 0 HA ALA A 67 -5.575 -6.683 -20.972 1.00 22.41 H new ATOM 0 HB1 ALA A 67 -5.244 -4.284 -20.465 1.00 34.32 H new ATOM 0 HB2 ALA A 67 -4.506 -4.739 -22.019 1.00 34.32 H new ATOM 0 HB3 ALA A 67 -6.051 -3.858 -21.992 1.00 34.32 H new ATOM 908 N ALA A 68 -8.553 -5.364 -21.308 1.00 30.43 N ATOM 909 CA ALA A 68 -9.842 -5.191 -20.649 1.00 25.34 C ATOM 910 C ALA A 68 -10.523 -6.535 -20.414 1.00 21.14 C ATOM 911 O ALA A 68 -11.098 -6.773 -19.352 1.00 1.21 O ATOM 912 CB ALA A 68 -10.738 -4.280 -21.474 1.00 11.14 C ATOM 0 H ALA A 68 -8.552 -5.128 -22.300 1.00 30.43 H new ATOM 0 HA ALA A 68 -9.667 -4.728 -19.678 1.00 25.34 H new ATOM 0 HB1 ALA A 68 -11.697 -4.160 -20.970 1.00 11.14 H new ATOM 0 HB2 ALA A 68 -10.262 -3.306 -21.586 1.00 11.14 H new ATOM 0 HB3 ALA A 68 -10.898 -4.721 -22.458 1.00 11.14 H new ATOM 918 N ALA A 69 -10.455 -7.410 -21.411 1.00 62.34 N ATOM 919 CA ALA A 69 -11.064 -8.731 -21.312 1.00 51.22 C ATOM 920 C ALA A 69 -10.114 -9.726 -20.655 1.00 1.23 C ATOM 921 O ALA A 69 -10.474 -10.879 -20.416 1.00 34.25 O ATOM 922 CB ALA A 69 -11.479 -9.225 -22.690 1.00 21.40 C ATOM 0 H ALA A 69 -9.984 -7.228 -22.297 1.00 62.34 H new ATOM 0 HA ALA A 69 -11.952 -8.649 -20.685 1.00 51.22 H new ATOM 0 HB1 ALA A 69 -11.932 -10.212 -22.601 1.00 21.40 H new ATOM 0 HB2 ALA A 69 -12.201 -8.532 -23.123 1.00 21.40 H new ATOM 0 HB3 ALA A 69 -10.602 -9.285 -23.334 1.00 21.40 H new ATOM 928 N LEU A 70 -8.899 -9.274 -20.365 1.00 42.32 N ATOM 929 CA LEU A 70 -7.896 -10.125 -19.735 1.00 64.14 C ATOM 930 C LEU A 70 -8.421 -10.711 -18.429 1.00 74.41 C ATOM 931 O LEU A 70 -8.500 -11.927 -18.253 1.00 72.31 O ATOM 932 CB LEU A 70 -6.616 -9.330 -19.472 1.00 2.40 C ATOM 933 CG LEU A 70 -5.781 -9.779 -18.273 1.00 21.45 C ATOM 934 CD1 LEU A 70 -5.337 -11.224 -18.443 1.00 31.04 C ATOM 935 CD2 LEU A 70 -4.576 -8.868 -18.089 1.00 54.42 C ATOM 0 H LEU A 70 -8.585 -8.323 -20.556 1.00 42.32 H new ATOM 0 HA LEU A 70 -7.673 -10.946 -20.416 1.00 64.14 H new ATOM 0 HB2 LEU A 70 -5.991 -9.381 -20.364 1.00 2.40 H new ATOM 0 HB3 LEU A 70 -6.885 -8.283 -19.330 1.00 2.40 H new ATOM 0 HG LEU A 70 -6.401 -9.713 -17.379 1.00 21.45 H new ATOM 0 HD11 LEU A 70 -4.744 -11.526 -17.580 1.00 31.04 H new ATOM 0 HD12 LEU A 70 -6.214 -11.867 -18.524 1.00 31.04 H new ATOM 0 HD13 LEU A 70 -4.735 -11.316 -19.347 1.00 31.04 H new ATOM 0 HD21 LEU A 70 -3.994 -9.204 -17.231 1.00 54.42 H new ATOM 0 HD22 LEU A 70 -3.955 -8.901 -18.984 1.00 54.42 H new ATOM 0 HD23 LEU A 70 -4.915 -7.846 -17.920 1.00 54.42 H new ATOM 947 N PRO A 71 -8.792 -9.828 -17.491 1.00 13.24 N ATOM 948 CA PRO A 71 -9.320 -10.235 -16.185 1.00 10.42 C ATOM 949 C PRO A 71 -10.709 -10.855 -16.289 1.00 21.43 C ATOM 950 O PRO A 71 -11.107 -11.656 -15.443 1.00 45.23 O ATOM 951 CB PRO A 71 -9.379 -8.921 -15.401 1.00 62.01 C ATOM 952 CG PRO A 71 -9.499 -7.863 -16.443 1.00 64.23 C ATOM 953 CD PRO A 71 -8.726 -8.364 -17.632 1.00 43.41 C ATOM 0 HA PRO A 71 -8.701 -11.000 -15.716 1.00 10.42 H new ATOM 0 HB2 PRO A 71 -10.230 -8.904 -14.720 1.00 62.01 H new ATOM 0 HB3 PRO A 71 -8.483 -8.781 -14.796 1.00 62.01 H new ATOM 0 HG2 PRO A 71 -10.543 -7.687 -16.702 1.00 64.23 H new ATOM 0 HG3 PRO A 71 -9.095 -6.916 -16.086 1.00 64.23 H new ATOM 0 HD2 PRO A 71 -9.171 -8.030 -18.570 1.00 43.41 H new ATOM 0 HD3 PRO A 71 -7.697 -8.006 -17.622 1.00 43.41 H new ATOM 961 N GLY A 72 -11.443 -10.481 -17.332 1.00 52.01 N ATOM 962 CA GLY A 72 -12.780 -11.011 -17.527 1.00 61.42 C ATOM 963 C GLY A 72 -12.771 -12.478 -17.910 1.00 54.01 C ATOM 964 O GLY A 72 -13.524 -13.277 -17.354 1.00 34.55 O ATOM 0 H GLY A 72 -11.136 -9.820 -18.046 1.00 52.01 H new ATOM 0 HA2 GLY A 72 -13.356 -10.881 -16.611 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -13.285 -10.438 -18.305 1.00 61.42 H new ATOM 968 N LYS A 73 -11.919 -12.834 -18.865 1.00 43.40 N ATOM 969 CA LYS A 73 -11.815 -14.214 -19.323 1.00 44.24 C ATOM 970 C LYS A 73 -11.252 -15.111 -18.226 1.00 1.24 C ATOM 971 O LYS A 73 -11.436 -16.328 -18.249 1.00 65.25 O ATOM 972 CB LYS A 73 -10.927 -14.294 -20.567 1.00 62.14 C ATOM 973 CG LYS A 73 -11.692 -14.151 -21.871 1.00 54.23 C ATOM 974 CD LYS A 73 -11.386 -12.829 -22.556 1.00 21.14 C ATOM 975 CE LYS A 73 -12.013 -12.760 -23.940 1.00 5.43 C ATOM 976 NZ LYS A 73 -11.254 -13.569 -24.933 1.00 40.23 N ATOM 0 H LYS A 73 -11.290 -12.185 -19.337 1.00 43.40 H new ATOM 0 HA LYS A 73 -12.816 -14.563 -19.575 1.00 44.24 H new ATOM 0 HB2 LYS A 73 -10.169 -13.513 -20.513 1.00 62.14 H new ATOM 0 HB3 LYS A 73 -10.401 -15.249 -20.567 1.00 62.14 H new ATOM 0 HG2 LYS A 73 -11.435 -14.975 -22.537 1.00 54.23 H new ATOM 0 HG3 LYS A 73 -12.762 -14.221 -21.676 1.00 54.23 H new ATOM 0 HD2 LYS A 73 -11.759 -12.007 -21.945 1.00 21.14 H new ATOM 0 HD3 LYS A 73 -10.307 -12.702 -22.638 1.00 21.14 H new ATOM 0 HE2 LYS A 73 -13.042 -13.117 -23.891 1.00 5.43 H new ATOM 0 HE3 LYS A 73 -12.051 -11.722 -24.270 1.00 5.43 H new ATOM 0 HZ1 LYS A 73 -11.722 -13.510 -25.860 1.00 40.23 H new ATOM 0 HZ2 LYS A 73 -10.284 -13.202 -25.011 1.00 40.23 H new ATOM 0 HZ3 LYS A 73 -11.225 -14.561 -24.623 1.00 40.23 H new ATOM 990 N CYS A 74 -10.567 -14.502 -17.263 1.00 51.13 N ATOM 991 CA CYS A 74 -9.978 -15.245 -16.156 1.00 13.34 C ATOM 992 C CYS A 74 -10.946 -15.324 -14.978 1.00 72.05 C ATOM 993 O CYS A 74 -10.557 -15.667 -13.863 1.00 61.31 O ATOM 994 CB CYS A 74 -8.670 -14.587 -15.711 1.00 74.02 C ATOM 995 SG CYS A 74 -7.351 -14.632 -16.967 1.00 33.12 S ATOM 0 H CYS A 74 -10.406 -13.495 -17.228 1.00 51.13 H new ATOM 0 HA CYS A 74 -9.769 -16.257 -16.501 1.00 13.34 H new ATOM 0 HB2 CYS A 74 -8.870 -13.549 -15.446 1.00 74.02 H new ATOM 0 HB3 CYS A 74 -8.315 -15.084 -14.808 1.00 74.02 H new ATOM 1000 N GLY A 75 -12.211 -15.004 -15.236 1.00 43.24 N ATOM 1001 CA GLY A 75 -13.215 -15.045 -14.189 1.00 62.24 C ATOM 1002 C GLY A 75 -12.855 -14.168 -13.006 1.00 72.43 C ATOM 1003 O GLY A 75 -12.517 -14.669 -11.933 1.00 52.34 O ATOM 0 H GLY A 75 -12.558 -14.717 -16.151 1.00 43.24 H new ATOM 0 HA2 GLY A 75 -14.174 -14.724 -14.597 1.00 62.24 H new ATOM 0 HA3 GLY A 75 -13.340 -16.073 -13.850 1.00 62.24 H new ATOM 1007 N VAL A 76 -12.926 -12.855 -13.201 1.00 72.45 N ATOM 1008 CA VAL A 76 -12.605 -11.907 -12.142 1.00 41.41 C ATOM 1009 C VAL A 76 -13.599 -10.751 -12.119 1.00 40.14 C ATOM 1010 O VAL A 76 -14.145 -10.368 -13.153 1.00 72.51 O ATOM 1011 CB VAL A 76 -11.182 -11.342 -12.307 1.00 45.23 C ATOM 1012 CG1 VAL A 76 -10.784 -10.528 -11.085 1.00 34.52 C ATOM 1013 CG2 VAL A 76 -10.188 -12.467 -12.555 1.00 41.42 C ATOM 0 H VAL A 76 -13.203 -12.424 -14.083 1.00 72.45 H new ATOM 0 HA VAL A 76 -12.665 -12.453 -11.200 1.00 41.41 H new ATOM 0 HB VAL A 76 -11.171 -10.680 -13.173 1.00 45.23 H new ATOM 0 HG11 VAL A 76 -9.776 -10.137 -11.221 1.00 34.52 H new ATOM 0 HG12 VAL A 76 -11.480 -9.699 -10.958 1.00 34.52 H new ATOM 0 HG13 VAL A 76 -10.811 -11.164 -10.200 1.00 34.52 H new ATOM 0 HG21 VAL A 76 -9.187 -12.050 -12.669 1.00 41.42 H new ATOM 0 HG22 VAL A 76 -10.200 -13.156 -11.710 1.00 41.42 H new ATOM 0 HG23 VAL A 76 -10.464 -13.002 -13.463 1.00 41.42 H new ATOM 1132 N SER A 83 -10.071 1.599 -18.513 1.00 3.12 N ATOM 1133 CA SER A 83 -9.672 2.747 -19.319 1.00 71.22 C ATOM 1134 C SER A 83 -8.215 3.115 -19.057 1.00 10.44 C ATOM 1135 O SER A 83 -7.840 3.455 -17.934 1.00 31.23 O ATOM 1136 CB SER A 83 -10.575 3.945 -19.020 1.00 41.13 C ATOM 1137 OG SER A 83 -9.864 5.164 -19.150 1.00 52.23 O ATOM 0 HA SER A 83 -9.776 2.476 -20.370 1.00 71.22 H new ATOM 0 HB2 SER A 83 -11.426 3.942 -19.701 1.00 41.13 H new ATOM 0 HB3 SER A 83 -10.975 3.860 -18.010 1.00 41.13 H new ATOM 0 HG SER A 83 -10.026 5.723 -18.362 1.00 52.23 H new ATOM 1143 N THR A 84 -7.396 3.046 -20.102 1.00 0.15 N ATOM 1144 CA THR A 84 -5.980 3.371 -19.986 1.00 20.34 C ATOM 1145 C THR A 84 -5.775 4.865 -19.768 1.00 4.41 C ATOM 1146 O THR A 84 -4.672 5.312 -19.448 1.00 33.45 O ATOM 1147 CB THR A 84 -5.199 2.934 -21.239 1.00 40.04 C ATOM 1148 OG1 THR A 84 -5.717 3.600 -22.396 1.00 51.41 O ATOM 1149 CG2 THR A 84 -5.286 1.428 -21.434 1.00 33.20 C ATOM 0 H THR A 84 -7.689 2.768 -21.038 1.00 0.15 H new ATOM 0 HA THR A 84 -5.600 2.826 -19.122 1.00 20.34 H new ATOM 0 HB THR A 84 -4.153 3.206 -21.101 1.00 40.04 H new ATOM 0 HG1 THR A 84 -5.214 3.318 -23.188 1.00 51.41 H new ATOM 0 HG21 THR A 84 -4.727 1.144 -22.325 1.00 33.20 H new ATOM 0 HG22 THR A 84 -4.864 0.924 -20.565 1.00 33.20 H new ATOM 0 HG23 THR A 84 -6.330 1.136 -21.552 1.00 33.20 H new ATOM 1157 N THR A 85 -6.843 5.637 -19.943 1.00 32.31 N ATOM 1158 CA THR A 85 -6.780 7.082 -19.766 1.00 20.00 C ATOM 1159 C THR A 85 -7.252 7.487 -18.374 1.00 62.31 C ATOM 1160 O THR A 85 -7.135 8.648 -17.980 1.00 72.32 O ATOM 1161 CB THR A 85 -7.634 7.815 -20.818 1.00 65.32 C ATOM 1162 OG1 THR A 85 -7.466 9.231 -20.686 1.00 25.53 O ATOM 1163 CG2 THR A 85 -9.104 7.457 -20.666 1.00 73.04 C ATOM 0 H THR A 85 -7.763 5.285 -20.207 1.00 32.31 H new ATOM 0 HA THR A 85 -5.736 7.370 -19.891 1.00 20.00 H new ATOM 0 HB THR A 85 -7.300 7.501 -21.807 1.00 65.32 H new ATOM 0 HG1 THR A 85 -7.229 9.447 -19.760 1.00 25.53 H new ATOM 0 HG21 THR A 85 -9.687 7.986 -21.419 1.00 73.04 H new ATOM 0 HG22 THR A 85 -9.232 6.383 -20.797 1.00 73.04 H new ATOM 0 HG23 THR A 85 -9.448 7.745 -19.673 1.00 73.04 H new ATOM 1171 N THR A 86 -7.785 6.522 -17.631 1.00 73.32 N ATOM 1172 CA THR A 86 -8.275 6.778 -16.283 1.00 34.23 C ATOM 1173 C THR A 86 -7.123 6.903 -15.293 1.00 45.03 C ATOM 1174 O THR A 86 -6.111 6.214 -15.414 1.00 62.33 O ATOM 1175 CB THR A 86 -9.225 5.661 -15.809 1.00 1.44 C ATOM 1176 OG1 THR A 86 -10.383 5.614 -16.649 1.00 15.12 O ATOM 1177 CG2 THR A 86 -9.648 5.888 -14.365 1.00 61.30 C ATOM 0 H THR A 86 -7.888 5.556 -17.941 1.00 73.32 H new ATOM 0 HA THR A 86 -8.822 7.720 -16.320 1.00 34.23 H new ATOM 0 HB THR A 86 -8.694 4.711 -15.871 1.00 1.44 H new ATOM 0 HG1 THR A 86 -11.050 5.015 -16.253 1.00 15.12 H new ATOM 0 HG21 THR A 86 -10.318 5.087 -14.052 1.00 61.30 H new ATOM 0 HG22 THR A 86 -8.766 5.894 -13.724 1.00 61.30 H new ATOM 0 HG23 THR A 86 -10.163 6.845 -14.283 1.00 61.30 H new ATOM 1185 N ASN A 87 -7.283 7.787 -14.314 1.00 22.02 N ATOM 1186 CA ASN A 87 -6.254 8.002 -13.302 1.00 53.15 C ATOM 1187 C ASN A 87 -6.400 7.005 -12.157 1.00 72.44 C ATOM 1188 O ASN A 87 -7.270 7.151 -11.298 1.00 53.45 O ATOM 1189 CB ASN A 87 -6.332 9.431 -12.762 1.00 12.32 C ATOM 1190 CG ASN A 87 -5.158 9.775 -11.865 1.00 54.13 C ATOM 1191 OD1 ASN A 87 -4.054 9.263 -12.047 1.00 4.22 O ATOM 1192 ND2 ASN A 87 -5.394 10.646 -10.891 1.00 44.30 N ATOM 0 H ASN A 87 -8.115 8.366 -14.199 1.00 22.02 H new ATOM 0 HA ASN A 87 -5.282 7.850 -13.770 1.00 53.15 H new ATOM 0 HB2 ASN A 87 -6.365 10.131 -13.597 1.00 12.32 H new ATOM 0 HB3 ASN A 87 -7.260 9.556 -12.205 1.00 12.32 H new ATOM 0 HD21 ASN A 87 -4.643 10.916 -10.256 1.00 44.30 H new ATOM 0 HD22 ASN A 87 -6.326 11.045 -10.778 1.00 44.30 H new ATOM 1199 N CYS A 88 -5.542 5.990 -12.151 1.00 73.21 N ATOM 1200 CA CYS A 88 -5.574 4.967 -11.112 1.00 52.34 C ATOM 1201 C CYS A 88 -4.957 5.488 -9.818 1.00 24.34 C ATOM 1202 O CYS A 88 -4.925 4.786 -8.808 1.00 2.35 O ATOM 1203 CB CYS A 88 -4.830 3.714 -11.578 1.00 2.31 C ATOM 1204 SG CYS A 88 -5.437 3.031 -13.154 1.00 32.15 S ATOM 0 H CYS A 88 -4.816 5.854 -12.854 1.00 73.21 H new ATOM 0 HA CYS A 88 -6.616 4.711 -10.919 1.00 52.34 H new ATOM 0 HB2 CYS A 88 -3.771 3.951 -11.681 1.00 2.31 H new ATOM 0 HB3 CYS A 88 -4.912 2.948 -10.807 1.00 2.31 H new ATOM 1209 N ASN A 89 -4.467 6.723 -9.857 1.00 32.23 N ATOM 1210 CA ASN A 89 -3.850 7.338 -8.687 1.00 31.30 C ATOM 1211 C ASN A 89 -4.904 7.986 -7.794 1.00 25.12 C ATOM 1212 O ASN A 89 -4.649 8.277 -6.625 1.00 1.34 O ATOM 1213 CB ASN A 89 -2.819 8.382 -9.118 1.00 65.05 C ATOM 1214 CG ASN A 89 -1.394 7.925 -8.869 1.00 52.02 C ATOM 1215 OD1 ASN A 89 -0.600 7.857 -9.932 1.00 13.23 O flip ATOM 1216 ND2 ASN A 89 -1.012 7.637 -7.735 1.00 34.34 N flip ATOM 0 H ASN A 89 -4.485 7.317 -10.686 1.00 32.23 H new ATOM 0 HA ASN A 89 -3.348 6.555 -8.118 1.00 31.30 H new ATOM 0 HB2 ASN A 89 -2.948 8.600 -10.178 1.00 65.05 H new ATOM 0 HB3 ASN A 89 -2.999 9.311 -8.578 1.00 65.05 H new ATOM 0 HD21 ASN A 89 -1.657 7.704 -6.947 1.00 34.34 H new ATOM 0 HD22 ASN A 89 -0.051 7.331 -7.583 1.00 34.34 H new ATOM 1223 N THR A 90 -6.089 8.209 -8.352 1.00 73.22 N ATOM 1224 CA THR A 90 -7.181 8.823 -7.608 1.00 34.33 C ATOM 1225 C THR A 90 -8.325 7.837 -7.397 1.00 53.31 C ATOM 1226 O THR A 90 -9.497 8.196 -7.518 1.00 61.42 O ATOM 1227 CB THR A 90 -7.721 10.072 -8.330 1.00 32.34 C ATOM 1228 OG1 THR A 90 -8.787 10.653 -7.571 1.00 55.42 O ATOM 1229 CG2 THR A 90 -8.217 9.719 -9.724 1.00 34.13 C ATOM 0 H THR A 90 -6.317 7.973 -9.318 1.00 73.22 H new ATOM 0 HA THR A 90 -6.777 9.119 -6.640 1.00 34.33 H new ATOM 0 HB THR A 90 -6.908 10.792 -8.423 1.00 32.34 H new ATOM 0 HG1 THR A 90 -9.504 9.995 -7.457 1.00 55.42 H new ATOM 0 HG21 THR A 90 -8.594 10.617 -10.214 1.00 34.13 H new ATOM 0 HG22 THR A 90 -7.396 9.304 -10.308 1.00 34.13 H new ATOM 0 HG23 THR A 90 -9.018 8.983 -9.650 1.00 34.13 H new ATOM 1237 N VAL A 91 -7.978 6.594 -7.080 1.00 74.24 N ATOM 1238 CA VAL A 91 -8.977 5.556 -6.851 1.00 0.50 C ATOM 1239 C VAL A 91 -8.870 4.994 -5.438 1.00 14.00 C ATOM 1240 O VAL A 91 -7.819 5.077 -4.802 1.00 73.12 O ATOM 1241 CB VAL A 91 -8.832 4.404 -7.863 1.00 0.23 C ATOM 1242 CG1 VAL A 91 -8.498 4.945 -9.244 1.00 54.45 C ATOM 1243 CG2 VAL A 91 -7.772 3.417 -7.397 1.00 42.43 C ATOM 0 H VAL A 91 -7.013 6.281 -6.976 1.00 74.24 H new ATOM 0 HA VAL A 91 -9.954 6.022 -6.981 1.00 0.50 H new ATOM 0 HB VAL A 91 -9.784 3.877 -7.927 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -8.399 4.116 -9.945 1.00 54.45 H new ATOM 0 HG12 VAL A 91 -9.295 5.609 -9.577 1.00 54.45 H new ATOM 0 HG13 VAL A 91 -7.559 5.498 -9.201 1.00 54.45 H new ATOM 0 HG21 VAL A 91 -7.682 2.609 -8.124 1.00 42.43 H new ATOM 0 HG22 VAL A 91 -6.814 3.929 -7.303 1.00 42.43 H new ATOM 0 HG23 VAL A 91 -8.059 3.005 -6.430 1.00 42.43 H new